1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C117H151Cl3F3N25O13 — CID 157123479

About 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 157123479) has the molecular formula C117H151Cl3F3N25O13 and a molecular weight of 2279.01 g/mol. Its IUPAC name is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 157123479
• Molecular Formula: C117H151Cl3F3N25O13
• Molecular Weight: 2279.01 g/mol
• Exact Mass: 2276.09
• IUPAC Name: 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(C)(C)O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(N)=O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
• InChI: InChI=1S/C26H37N5O3.C24H32N6O3.C24H33N5O2.C23H28ClN5O3.C20H21Cl2F3N4O2/c1-19-5-6-21(24(17-19)29-10-7-22(8-11-29)26(3,4)34)18-28-13-15-30(16-14-28)25(33)31-12-9-23(27-31)20(2)32;1-17-3-4-20(22(15-17)28-8-5-19(6-9-28)23(25)32)16-27-11-13-29(14-12-27)24(33)30-10-7-21(26-30)18(2)31;1-18-7-8-21(23(16-18)28-10-5-4-6-19(28)2)17-26-12-14-27(15-13-26)24(31)29-11-9-22(25-29)20(3)30;1-16(30)21-4-5-29(25-21)23(31)27-8-6-26(7-9-27)11-17-2-3-20(24)10-22(17)28-12-18-14-32-15-19(18)13-28;1-12(30)18-17(22)11-29(26-18)19(31)28-7-5-15(6-8-28)27(2)10-13-9-14(21)3-4-16(13)20(23,24)25/h5-6,9,12,17,22,34H,7-8,10-11,13-16,18H2,1-4H3;3-4,7,10,15,19H,5-6,8-9,11-14,16H2,1-2H3,(H2,25,32);7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-5,10,18-19H,6-9,11-15H2,1H3;3-4,9,11,15H,5-8,10H2,1-2H3/t;;19-;;/m..0../s1
• InChIKey: AIGBPXBBCZHVDG-UGQFJFPUSA-N
• XLogP: 16.19
• TPSA: 377.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.01
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 157123479) is 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(C)(C)O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(C(N)=O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl.

What is the InChIKey of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is AIGBPXBBCZHVDG-UGQFJFPUSA-N. The full InChI is InChI=1S/C26H37N5O3.C24H32N6O3.C24H33N5O2.C23H28ClN5O3.C20H21Cl2F3N4O2/c1-19-5-6-21(24(17-19)29-10-7-22(8-11-29)26(3,4)34)18-28-13-15-30(16-14-28)25(33)31-12-9-23(27-31)20(2)32;1-17-3-4-20(22(15-17)28-8-5-19(6-9-28)23(25)32)16-27-11-13-29(14-12-27)24(33)30-10-7-21(26-30)18(2)31;1-18-7-8-21(23(16-18)28-10-5-4-6-19(28)2)17-26-12-14-27(15-13-26)24(31)29-11-9-22(25-29)20(3)30;1-16(30)21-4-5-29(25-21)23(31)27-8-6-26(7-9-27)11-17-2-3-20(24)10-22(17)28-12-18-14-32-15-19(18)13-28;1-12(30)18-17(22)11-29(26-18)19(31)28-7-5-15(6-8-28)27(2)10-13-9-14(21)3-4-16(13)20(23,24)25/h5-6,9,12,17,22,34H,7-8,10-11,13-16,18H2,1-4H3;3-4,7,10,15,19H,5-6,8-9,11-14,16H2,1-2H3,(H2,25,32);7-9,11,16,19H,4-6,10,12-15,17H2,1-3H3;2-5,10,18-19H,6-9,11-15H2,1H3;3-4,9,11,15H,5-8,10H2,1-2H3/t;;19-;;/m..0../s1.

What are the key properties of 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2279.01 g/mol, XLogP of 16.19, 22 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxamide;1-[4-chloro-1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2S)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 157123479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).