(2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one

C153H216BrCl8N13O15 — CID 157063274

About (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one

(2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one (PubChem CID 157063274) has the molecular formula C153H216BrCl8N13O15 and a molecular weight of 2841.01 g/mol. Its IUPAC name is (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one.

Molecular Properties

• Compound Name: (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one
• PubChem CID: 157063274
• Molecular Formula: C153H216BrCl8N13O15
• Molecular Weight: 2841.01 g/mol
• Exact Mass: 2834.32
• IUPAC Name: (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one
• SMILES: CC(=O)N1CCC(NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(=O)N1CC[C@@H](NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)C1.CC(=O)N1CC[C@H](NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)C1.CC(C)C(=O)[C@H](CN1CCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCC(O)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCNCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Br)cc1.COCCNCC(C(=O)C(C)C)c1ccc(Cl)cc1
• InChI: InChI=1S/C19H27ClN2O2.2C18H25ClN2O2.C18H26ClNO2.C17H25ClN2O.C17H24ClNO2.C16H22BrNO.C15H22ClNO2.C15H20ClNO/c1-13(2)19(24)18(15-4-6-16(20)7-5-15)12-21-17-8-10-22(11-9-17)14(3)23;2*1-12(2)18(23)17(14-4-6-15(19)7-5-14)10-20-16-8-9-21(11-16)13(3)22;1-12(2)18(22)17(13-3-5-14(19)6-4-13)11-20-15-7-9-16(21)10-8-15;1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-20-15-7-9-19-10-8-15;1-12(2)17(20)16(13-3-5-14(18)6-4-13)11-19-15-7-9-21-10-8-15;1-11(2)16(19)15(10-18-9-12-3-4-12)13-5-7-14(17)8-6-13;1-11(2)15(18)14(10-17-8-9-19-3)12-4-6-13(16)7-5-12;1-11(2)15(18)14(10-17-8-3-9-17)12-4-6-13(16)7-5-12/h4-7,13,17-18,21H,8-12H2,1-3H3;2*4-7,12,16-17,20H,8-11H2,1-3H3;3-6,12,15-17,20-21H,7-11H2,1-2H3;3-6,12,15-16,19-20H,7-11H2,1-2H3;3-6,12,15-16,19H,7-11H2,1-2H3;5-8,11-12,15,18H,3-4,9-10H2,1-2H3;4-7,11,14,17H,8-10H2,1-3H3;4-7,11,14H,3,8-10H2,1-2H3/t18-;16-,17+;16-,17-;15?,16?,17-;2*16-;15-;;14-/m1011111.1/s1
• InChIKey: ABONIZFDCVLRJK-WOPHWIRDSA-N
• XLogP: 28.91
• TPSA: 364.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 56
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2841.01
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one?

The IUPAC name of (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one (CID 157063274) is (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one.

What is the SMILES notation for (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one?

The canonical SMILES for (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one is CC(=O)N1CCC(NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(=O)N1CC[C@@H](NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)C1.CC(=O)N1CC[C@H](NC[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)C1.CC(C)C(=O)[C@H](CN1CCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCC(O)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCNCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Br)cc1.COCCNCC(C(=O)C(C)C)c1ccc(Cl)cc1.

What is the InChIKey of (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one?

The InChIKey is ABONIZFDCVLRJK-WOPHWIRDSA-N. The full InChI is InChI=1S/C19H27ClN2O2.2C18H25ClN2O2.C18H26ClNO2.C17H25ClN2O.C17H24ClNO2.C16H22BrNO.C15H22ClNO2.C15H20ClNO/c1-13(2)19(24)18(15-4-6-16(20)7-5-15)12-21-17-8-10-22(11-9-17)14(3)23;2*1-12(2)18(23)17(14-4-6-15(19)7-5-14)10-20-16-8-9-21(11-16)13(3)22;1-12(2)18(22)17(13-3-5-14(19)6-4-13)11-20-15-7-9-16(21)10-8-15;1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-20-15-7-9-19-10-8-15;1-12(2)17(20)16(13-3-5-14(18)6-4-13)11-19-15-7-9-21-10-8-15;1-11(2)16(19)15(10-18-9-12-3-4-12)13-5-7-14(17)8-6-13;1-11(2)15(18)14(10-17-8-9-19-3)12-4-6-13(16)7-5-12;1-11(2)15(18)14(10-17-8-3-9-17)12-4-6-13(16)7-5-12/h4-7,13,17-18,21H,8-12H2,1-3H3;2*4-7,12,16-17,20H,8-11H2,1-3H3;3-6,12,15-17,20-21H,7-11H2,1-2H3;3-6,12,15-16,19-20H,7-11H2,1-2H3;3-6,12,15-16,19H,7-11H2,1-2H3;5-8,11-12,15,18H,3-4,9-10H2,1-2H3;4-7,11,14,17H,8-10H2,1-3H3;4-7,11,14H,3,8-10H2,1-2H3/t18-;16-,17+;16-,17-;15?,16?,17-;2*16-;15-;;14-/m1011111.1/s1.

What are the key properties of (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one?

(2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one has a molecular weight of 2841.01 g/mol, XLogP of 28.91, 56 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(azetidin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-hydroxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-(2-methoxyethylamino)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(piperidin-4-ylamino)pentan-3-one is sourced from PubChem (CID 157063274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).