(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

C102H118F3N9O7 — CID 162005795

IUPAC(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(OC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1
InChIInChI=1S/C36H43FN4O2.C33H38FN3O2.C33H37FN2O3/c1-24-14-17-29(23-32(24)40-20-5-6-21-40)39-35(42)30-12-8-22-41(36(43)33-25(2)9-7-13-31(33)37)34(30)26-15-18-28(19-16-26)38-27-10-3-4-11-27;1-21-13-16-27(20-23(21)3)36-32(38)28-11-7-19-37(33(39)30-22(2)8-6-12-29(30)34)31(28)24-14-17-26(18-15-24)35-25-9-4-5-10-25;1-21-13-16-25(20-23(21)3)35-32(37)28-11-7-19-36(33(38)30-22(2)8-6-12-29(30)34)31(28)24-14-17-27(18-15-24)39-26-9-4-5-10-26/h7,9,13-19,23,27,30,34,38H,3-6,8,10-12,20-22H2,1-2H3,(H,39,42);6,8,12-18,20,25,28,31,35H,4-5,7,9-11,19H2,1-3H3,(H,36,38);6,8,12-18,20,26,28,31H,4-5,7,9-11,19H2,1-3H3,(H,35,37)/t30-,34?;28?,31-;/m00./s1
InChIKeyYSUWCTMWBVWBSN-MTILJGOCSA-N
MW1639.12 g/mol
LogP22.27
Rot. Bonds19

About (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 162005795) has the molecular formula C102H118F3N9O7 and a molecular weight of 1639.12 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
PubChem CID162005795
Molecular FormulaC102H118F3N9O7
Molecular Weight1639.12 g/mol
Exact Mass1637.91
IUPAC Name(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(OC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1
InChIInChI=1S/C36H43FN4O2.C33H38FN3O2.C33H37FN2O3/c1-24-14-17-29(23-32(24)40-20-5-6-21-40)39-35(42)30-12-8-22-41(36(43)33-25(2)9-7-13-31(33)37)34(30)26-15-18-28(19-16-26)38-27-10-3-4-11-27;1-21-13-16-27(20-23(21)3)36-32(38)28-11-7-19-37(33(39)30-22(2)8-6-12-29(30)34)31(28)24-14-17-26(18-15-24)35-25-9-4-5-10-25;1-21-13-16-25(20-23(21)3)35-32(37)28-11-7-19-36(33(38)30-22(2)8-6-12-29(30)34)31(28)24-14-17-27(18-15-24)39-26-9-4-5-10-26/h7,9,13-19,23,27,30,34,38H,3-6,8,10-12,20-22H2,1-2H3,(H,39,42);6,8,12-18,20,25,28,31,35H,4-5,7,9-11,19H2,1-3H3,(H,36,38);6,8,12-18,20,26,28,31H,4-5,7,9-11,19H2,1-3H3,(H,35,37)/t30-,34?;28?,31-;/m00./s1
InChIKeyYSUWCTMWBVWBSN-MTILJGOCSA-N
XLogP22.27
TPSA184.76 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001639.12
LogP ≤ 522.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide (CID 162005795) is (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(OC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1.
What is the InChIKey of (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is YSUWCTMWBVWBSN-MTILJGOCSA-N. The full InChI is InChI=1S/C36H43FN4O2.C33H38FN3O2.C33H37FN2O3/c1-24-14-17-29(23-32(24)40-20-5-6-21-40)39-35(42)30-12-8-22-41(36(43)33-25(2)9-7-13-31(33)37)34(30)26-15-18-28(19-16-26)38-27-10-3-4-11-27;1-21-13-16-27(20-23(21)3)36-32(38)28-11-7-19-37(33(39)30-22(2)8-6-12-29(30)34)31(28)24-14-17-26(18-15-24)35-25-9-4-5-10-25;1-21-13-16-25(20-23(21)3)35-32(37)28-11-7-19-36(33(38)30-22(2)8-6-12-29(30)34)31(28)24-14-17-27(18-15-24)39-26-9-4-5-10-26/h7,9,13-19,23,27,30,34,38H,3-6,8,10-12,20-22H2,1-2H3,(H,39,42);6,8,12-18,20,25,28,31,35H,4-5,7,9-11,19H2,1-3H3,(H,36,38);6,8,12-18,20,26,28,31H,4-5,7,9-11,19H2,1-3H3,(H,35,37)/t30-,34?;28?,31-;/m00./s1.
What are the key properties of (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide?
(2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 1639.12 g/mol, XLogP of 22.27, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 162005795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).