(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone

C33H48N4O — CID 91407650

IUPAC(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone
SMILESCNC(C)Cc1nc(C)ccc1C1(C)CNCC1C(=O)N1CCC(c2ccccc2)CC1C1CCCCC1
InChIInChI=1S/C33H48N4O/c1-23-15-16-28(30(36-23)19-24(2)34-4)33(3)22-35-21-29(33)32(38)37-18-17-27(25-11-7-5-8-12-25)20-31(37)26-13-9-6-10-14-26/h5,7-8,11-12,15-16,24,26-27,29,31,34-35H,6,9-10,13-14,17-22H2,1-4H3
InChIKeyZRSSQQWKCHTDQM-UHFFFAOYSA-N
MW516.77 g/mol
LogP5.37
Rot. Bonds7

About (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone

(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone (PubChem CID 91407650) has the molecular formula C33H48N4O and a molecular weight of 516.77 g/mol. Its IUPAC name is (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone
PubChem CID91407650
Molecular FormulaC33H48N4O
Molecular Weight516.77 g/mol
Exact Mass516.38
IUPAC Name(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone
SMILESCNC(C)Cc1nc(C)ccc1C1(C)CNCC1C(=O)N1CCC(c2ccccc2)CC1C1CCCCC1
InChIInChI=1S/C33H48N4O/c1-23-15-16-28(30(36-23)19-24(2)34-4)33(3)22-35-21-29(33)32(38)37-18-17-27(25-11-7-5-8-12-25)20-31(37)26-13-9-6-10-14-26/h5,7-8,11-12,15-16,24,26-27,29,31,34-35H,6,9-10,13-14,17-22H2,1-4H3
InChIKeyZRSSQQWKCHTDQM-UHFFFAOYSA-N
XLogP5.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-chloro-3-[4-(2-cyclohexyl-4-phenylpiperidine-1-carbonyl)-3-methylpyrrolidin-3-yl]-2-pyridinyl]propan-1-one
CID 91020180
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(5S)-2,8-dimethylspiro[6,7,8,9-tetrahydropyrido[2,3-d]azepine-5,4'-pyrrolidine]-3'-yl]methanone
CID 58549125
N-[(5R)-2-chloro-4'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidine-1-carbonyl]spiro[7,8-dihydro-6H-quinoline-5,3'-pyrrolidine]-8-yl]acetamide
CID 58549530
[(2S,4R)-2-(4,4-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methylspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone trichloride
CID 46893205
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,4R)-8-(methylaminomethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone
CID 58549077
methyl N-[2-chloro-4'-(2-cyclohexyl-4-phenylpiperidine-1-carbonyl)spiro[7,8-dihydro-6H-quinoline-5,3'-pyrrolidine]-8-yl]carbamate
CID 76819622
methyl N-[(5R)-2-chloro-4'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidine-1-carbonyl]spiro[7,8-dihydro-6H-quinoline-5,3'-pyrrolidine]-8-yl]carbamate
CID 58549153
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methoxyspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone
CID 58548951
(2-cyclohexyl-4-phenylpiperidin-1-yl)-(2,7-dimethylspiro[1,3-dihydroisoquinoline-4,4'-pyrrolidine]-3'-yl)methanone
CID 76819578
[(2S,4R)-2-cyclohexyl-4-(2-methylphenyl)piperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 58549532
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methoxyspiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]methanone
CID 123875864
[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4S)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2R,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 160784536

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone (CID 91407650) is (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone is CNC(C)Cc1nc(C)ccc1C1(C)CNCC1C(=O)N1CCC(c2ccccc2)CC1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone?
The InChIKey is ZRSSQQWKCHTDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N4O/c1-23-15-16-28(30(36-23)19-24(2)34-4)33(3)22-35-21-29(33)32(38)37-18-17-27(25-11-7-5-8-12-25)20-31(37)26-13-9-6-10-14-26/h5,7-8,11-12,15-16,24,26-27,29,31,34-35H,6,9-10,13-14,17-22H2,1-4H3.
What are the key properties of (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone?
(2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone has a molecular weight of 516.77 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-phenylpiperidin-1-yl)-[4-methyl-4-[6-methyl-2-[2-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 91407650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).