1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

C28H35N3O4 — CID 46170920

IUPAC1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NC3CCCC[C@H]3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C28H35N3O4/c1-19-7-3-4-8-23(19)27(33)30-25-10-6-5-9-24(25)29-26(32)20-15-17-31(18-16-20)28(34)21-11-13-22(35-2)14-12-21/h3-4,7-8,11-14,20,24-25H,5-6,9-10,15-18H2,1-2H3,(H,29,32)(H,30,33)/t24?,25-/m1/s1
InChIKeyJLYVPWVPVTWMIG-WUBHUQEYSA-N
MW477.61 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide (PubChem CID 46170920) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
PubChem CID46170920
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NC3CCCC[C@H]3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C28H35N3O4/c1-19-7-3-4-8-23(19)27(33)30-25-10-6-5-9-24(25)29-26(32)20-15-17-31(18-16-20)28(34)21-11-13-22(35-2)14-12-21/h3-4,7-8,11-14,20,24-25H,5-6,9-10,15-18H2,1-2H3,(H,29,32)(H,30,33)/t24?,25-/m1/s1
InChIKeyJLYVPWVPVTWMIG-WUBHUQEYSA-N
XLogP3.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51071660
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
CID 51071092
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
(3R)-1-(3,4-dichlorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013796
(3S)-1-(cyclohexanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013781
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071254
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013804
(3R)-1-(2-bromobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013816
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197824
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide (CID 46170920) is 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NC3CCCC[C@H]3NC(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide?
The InChIKey is JLYVPWVPVTWMIG-WUBHUQEYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-7-3-4-8-23(19)27(33)30-25-10-6-5-9-24(25)29-26(32)20-15-17-31(18-16-20)28(34)21-11-13-22(35-2)14-12-21/h3-4,7-8,11-14,20,24-25H,5-6,9-10,15-18H2,1-2H3,(H,29,32)(H,30,33)/t24?,25-/m1/s1.
What are the key properties of 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide?
1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 46170920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).