N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

C113H142ClF3N24O13 — CID 163497137

About N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163497137) has the molecular formula C113H142ClF3N24O13 and a molecular weight of 2136.98 g/mol. Its IUPAC name is N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 163497137
• Molecular Formula: C113H142ClF3N24O13
• Molecular Weight: 2136.98 g/mol
• Exact Mass: 2135.08
• IUPAC Name: N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)NC1CCN(c2cc(C)ccc2CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)CC1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(Oc3ccc(Cl)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(O)CC3)CC2)n1
• InChI: InChI=1S/C25H34N6O3.C24H28F3N5O2.C23H31N5O3.C21H25ClN4O3.C20H24N4O2/c1-18-4-5-21(24(16-18)29-9-6-22(7-10-29)26-20(3)33)17-28-12-14-30(15-13-28)25(34)31-11-8-23(27-31)19(2)32;1-16(33)22-6-9-32(28-22)23(34)31-14-18-12-29(13-19(18)15-31)11-17-4-5-20(30-7-2-3-8-30)10-21(17)24(25,26)27;1-17-3-4-19(22(15-17)26-8-5-20(30)6-9-26)16-25-11-13-27(14-12-25)23(31)28-10-7-21(24-28)18(2)29;1-15(27)19-8-13-26(23-19)21(28)25-11-6-16(7-12-25)29-17-4-5-18(22)20(14-17)24-9-2-3-10-24;1-14-4-3-5-16(8-14)9-22-10-17-12-23(13-18(17)11-22)20(26)24-7-6-19(21-24)15(2)25/h4-5,8,11,16,22H,6-7,9-10,12-15,17H2,1-3H3,(H,26,33);4-6,9-10,18-19H,2-3,7-8,11-15H2,1H3;3-4,7,10,15,20,30H,5-6,8-9,11-14,16H2,1-2H3;4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3;3-8,17-18H,9-13H2,1-2H3
• InChIKey: CRRIZKCHBRIOCF-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 360.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.98
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (CID 163497137) is N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is CC(=O)NC1CCN(c2cc(C)ccc2CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)CC1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(Oc3ccc(Cl)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(O)CC3)CC2)n1.

What is the InChIKey of N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is CRRIZKCHBRIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3.C24H28F3N5O2.C23H31N5O3.C21H25ClN4O3.C20H24N4O2/c1-18-4-5-21(24(16-18)29-9-6-22(7-10-29)26-20(3)33)17-28-12-14-30(15-13-28)25(34)31-11-8-23(27-31)19(2)32;1-16(33)22-6-9-32(28-22)23(34)31-14-18-12-29(13-19(18)15-31)11-17-4-5-20(30-7-2-3-8-30)10-21(17)24(25,26)27;1-17-3-4-19(22(15-17)26-8-5-20(30)6-9-26)16-25-11-13-27(14-12-25)23(31)28-10-7-21(24-28)18(2)29;1-15(27)19-8-13-26(23-19)21(28)25-11-6-16(7-12-25)29-17-4-5-18(22)20(14-17)24-9-2-3-10-24;1-14-4-3-5-16(8-14)9-22-10-17-12-23(13-18(17)11-22)20(26)24-7-6-19(21-24)15(2)25/h4-5,8,11,16,22H,6-7,9-10,12-15,17H2,1-3H3,(H,26,33);4-6,9-10,18-19H,2-3,7-8,11-15H2,1H3;3-4,7,10,15,20,30H,5-6,8-9,11-14,16H2,1-2H3;4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3;3-8,17-18H,9-13H2,1-2H3.

What are the key properties of N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?

N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2136.98 g/mol, XLogP of 14.44, 20 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163497137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).