2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone

C114H123Cl4F3N20O15 — CID 160659532

About 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone

2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 160659532) has the molecular formula C114H123Cl4F3N20O15 and a molecular weight of 2212.17 g/mol. Its IUPAC name is 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 160659532
• Molecular Formula: C114H123Cl4F3N20O15
• Molecular Weight: 2212.17 g/mol
• Exact Mass: 2208.82
• IUPAC Name: 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(N(CC(=O)O)Cc3cccc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4Cl)c3)C[C@H]2C)n1
• InChI: InChI=1S/3C24H25ClN4O3.C21H22ClF3N4O2.C21H26N4O4/c1-17-15-27(12-13-28(17)24(31)29-11-10-22(26-29)18(2)30)16-19-6-5-7-20(14-19)32-23-9-4-3-8-21(23)25;2*1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-19-4-3-5-22(14-19)32-21-8-6-20(25)7-9-21;1-14(30)18-4-7-29(26-18)19(31)28-8-5-20(6-9-28)12-27(13-20)11-15-10-16(22)2-3-17(15)21(23,24)25;1-15-4-3-5-17(12-15)13-24(14-20(27)28)18-6-9-23(10-7-18)21(29)25-11-8-19(22-25)16(2)26/h3*3-11,14,17H,12-13,15-16H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;3-5,8,11-12,18H,6-7,9-10,13-14H2,1-2H3,(H,27,28)/t3*17-;;/m110../s1
• InChIKey: RLMKYEYSQMMLIK-UJVZZNIVSA-N
• XLogP: 20.85
• TPSA: 357.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.17
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone (CID 160659532) is 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(N(CC(=O)O)Cc3cccc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4Cl)c3)C[C@H]2C)n1.

What is the InChIKey of 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is RLMKYEYSQMMLIK-UJVZZNIVSA-N. The full InChI is InChI=1S/3C24H25ClN4O3.C21H22ClF3N4O2.C21H26N4O4/c1-17-15-27(12-13-28(17)24(31)29-11-10-22(26-29)18(2)30)16-19-6-5-7-20(14-19)32-23-9-4-3-8-21(23)25;2*1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-19-4-3-5-22(14-19)32-21-8-6-20(25)7-9-21;1-14(30)18-4-7-29(26-18)19(31)28-8-5-20(6-9-28)12-27(13-20)11-15-10-16(22)2-3-17(15)21(23,24)25;1-15-4-3-5-17(12-15)13-24(14-20(27)28)18-6-9-23(10-7-18)21(29)25-11-8-19(22-25)16(2)26/h3*3-11,14,17H,12-13,15-16H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;3-5,8,11-12,18H,6-7,9-10,13-14H2,1-2H3,(H,27,28)/t3*17-;;/m110../s1.

What are the key properties of 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone?

2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2212.17 g/mol, XLogP of 20.85, 24 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 160659532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).