4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide

C102H142Br2N18O3 — CID 160920616

About 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide

4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 160920616) has the molecular formula C102H142Br2N18O3 and a molecular weight of 1828.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 160920616
• Molecular Formula: C102H142Br2N18O3
• Molecular Weight: 1828.19 g/mol
• Exact Mass: 1824.99
• IUPAC Name: 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
• SMILES: CC1(c2ccc(Br)cc2)CCN(C2CC2)CC1.CC1(c2ccc(Br)cc2)CCNCC1.CC1(c2ccc(N)cc2)CCN(C2CC2)CC1.C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CC4)CC3)cc2)n1.C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CC4)CC3)cc2)n1
• InChI: InChI=1S/C30H43N7O2.C30H41N7O.C15H20BrN.C15H22N2.C12H16BrN/c1-20-21(18-26(38)35(3)4)6-5-15-37(20)25-19-32-27(28(31)39)29(34-25)33-23-9-7-22(8-10-23)30(2)13-16-36(17-14-30)24-11-12-24;1-21-22(18-28(38)35(3)4)6-5-15-37(21)27-20-32-26(19-31)29(34-27)33-24-9-7-23(8-10-24)30(2)13-16-36(17-14-30)25-11-12-25;2*1-15(12-2-4-13(16)5-3-12)8-10-17(11-9-15)14-6-7-14;1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10/h7-10,19-21,24H,5-6,11-18H2,1-4H3,(H2,31,39)(H,33,34);7-10,20-22,25H,5-6,11-18H2,1-4H3,(H,33,34);2-5,14H,6-11H2,1H3;2-5,14H,6-11,16H2,1H3;2-5,14H,6-9H2,1H3/t20-,21+;21-,22+;;;/m11.../s1
• InChIKey: SRZDACWSSFWBNG-ZKGURFAESA-N
• XLogP: 18.45
• TPSA: 240.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.19
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide (CID 160920616) is 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide is CC1(c2ccc(Br)cc2)CCN(C2CC2)CC1.CC1(c2ccc(Br)cc2)CCNCC1.CC1(c2ccc(N)cc2)CCN(C2CC2)CC1.C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CC4)CC3)cc2)n1.C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CC4)CC3)cc2)n1.

What is the InChIKey of 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is SRZDACWSSFWBNG-ZKGURFAESA-N. The full InChI is InChI=1S/C30H43N7O2.C30H41N7O.C15H20BrN.C15H22N2.C12H16BrN/c1-20-21(18-26(38)35(3)4)6-5-15-37(20)25-19-32-27(28(31)39)29(34-25)33-23-9-7-22(8-10-23)30(2)13-16-36(17-14-30)24-11-12-24;1-21-22(18-28(38)35(3)4)6-5-15-37(21)27-20-32-26(19-31)29(34-27)33-24-9-7-23(8-10-24)30(2)13-16-36(17-14-30)25-11-12-25;2*1-15(12-2-4-13(16)5-3-12)8-10-17(11-9-15)14-6-7-14;1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10/h7-10,19-21,24H,5-6,11-18H2,1-4H3,(H2,31,39)(H,33,34);7-10,20-22,25H,5-6,11-18H2,1-4H3,(H,33,34);2-5,14H,6-11H2,1H3;2-5,14H,6-11,16H2,1H3;2-5,14H,6-9H2,1H3/t20-,21+;21-,22+;;;/m11.../s1.

What are the key properties of 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 1828.19 g/mol, XLogP of 18.45, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-1-cyclopropyl-4-methylpiperidine;4-(4-bromophenyl)-4-methylpiperidine;2-[(2R,3S)-1-[5-cyano-6-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-N,N-dimethylacetamide;4-(1-cyclopropyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 160920616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).