(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C135H151F10N13O9 — CID 157305718

IUPAC(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(CN2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(NC2CCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C35H41FN4O2.C35H42FN3O3.C33H35F4N3O2.C32H33F4N3O2/c1-24-9-6-15-31(36)32(24)35(42)40-22-8-14-30(33(40)25-16-18-27(19-17-25)37-26-10-2-3-11-26)34(41)38-28-12-7-13-29(23-28)39-20-4-5-21-39;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-21-7-3-12-28(34)29(21)32(42)40-18-6-11-27(31(41)38-26-10-4-9-25(19-26)33(35,36)37)30(40)24-15-13-23(14-16-24)20-39-17-5-8-22(39)2;1-20-7-4-13-27(33)28(20)31(41)39-18-6-12-26(30(40)38-25-11-5-8-22(19-25)32(34,35)36)29(39)21-14-16-24(17-15-21)37-23-9-2-3-10-23/h6-7,9,12-13,15-19,23,26,30,33,37H,2-5,8,10-11,14,20-22H2,1H3,(H,38,41);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);3-4,7,9-10,12-16,19,22,27,30H,5-6,8,11,17-18,20H2,1-2H3,(H,38,41);4-5,7-8,11,13-17,19,23,26,29,37H,2-3,6,9-10,12,18H2,1H3,(H,38,40)/t30-,33-;29-,33?;22?,27-,30-;26-,29-/m0000/s1
InChIKeyBCLCXPILTLGBDO-JGJXITIGSA-N
MW2289.75 g/mol
LogP30.25
Rot. Bonds27

About (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 157305718) has the molecular formula C135H151F10N13O9 and a molecular weight of 2289.75 g/mol. Its IUPAC name is (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID157305718
Molecular FormulaC135H151F10N13O9
Molecular Weight2289.75 g/mol
Exact Mass2288.16
IUPAC Name(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(CN2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(NC2CCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C35H41FN4O2.C35H42FN3O3.C33H35F4N3O2.C32H33F4N3O2/c1-24-9-6-15-31(36)32(24)35(42)40-22-8-14-30(33(40)25-16-18-27(19-17-25)37-26-10-2-3-11-26)34(41)38-28-12-7-13-29(23-28)39-20-4-5-21-39;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-21-7-3-12-28(34)29(21)32(42)40-18-6-11-27(31(41)38-26-10-4-9-25(19-26)33(35,36)37)30(40)24-15-13-23(14-16-24)20-39-17-5-8-22(39)2;1-20-7-4-13-27(33)28(20)31(41)39-18-6-12-26(30(40)38-25-11-5-8-22(19-25)32(34,35)36)29(39)21-14-16-24(17-15-21)37-23-9-2-3-10-23/h6-7,9,12-13,15-19,23,26,30,33,37H,2-5,8,10-11,14,20-22H2,1H3,(H,38,41);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);3-4,7,9-10,12-16,19,22,27,30H,5-6,8,11,17-18,20H2,1-2H3,(H,38,41);4-5,7-8,11,13-17,19,23,26,29,37H,2-3,6,9-10,12,18H2,1H3,(H,38,40)/t30-,33-;29-,33?;22?,27-,30-;26-,29-/m0000/s1
InChIKeyBCLCXPILTLGBDO-JGJXITIGSA-N
XLogP30.25
TPSA249.44 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002289.75
LogP ≤ 530.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 157305718) is (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(CN2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(NC2CCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H]1c1ccc(NC2CCCC2)cc1.
What is the InChIKey of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BCLCXPILTLGBDO-JGJXITIGSA-N. The full InChI is InChI=1S/C35H41FN4O2.C35H42FN3O3.C33H35F4N3O2.C32H33F4N3O2/c1-24-9-6-15-31(36)32(24)35(42)40-22-8-14-30(33(40)25-16-18-27(19-17-25)37-26-10-2-3-11-26)34(41)38-28-12-7-13-29(23-28)39-20-4-5-21-39;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-21-7-3-12-28(34)29(21)32(42)40-18-6-11-27(31(41)38-26-10-4-9-25(19-26)33(35,36)37)30(40)24-15-13-23(14-16-24)20-39-17-5-8-22(39)2;1-20-7-4-13-27(33)28(20)31(41)39-18-6-12-26(30(40)38-25-11-5-8-22(19-25)32(34,35)36)29(39)21-14-16-24(17-15-21)37-23-9-2-3-10-23/h6-7,9,12-13,15-19,23,26,30,33,37H,2-5,8,10-11,14,20-22H2,1H3,(H,38,41);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);3-4,7,9-10,12-16,19,22,27,30H,5-6,8,11,17-18,20H2,1-2H3,(H,38,41);4-5,7-8,11,13-17,19,23,26,29,37H,2-3,6,9-10,12,18H2,1H3,(H,38,40)/t30-,33-;29-,33?;22?,27-,30-;26-,29-/m0000/s1.
What are the key properties of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 2289.75 g/mol, XLogP of 30.25, 27 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 157305718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).