N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C28H35N3O4 — CID 51071660

IUPACN-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C28H35N3O4/c1-19-9-11-21(12-10-19)28(34)31-17-5-6-22(18-31)27(33)30-25-8-4-3-7-24(25)29-26(32)20-13-15-23(35-2)16-14-20/h9-16,22,24-25H,3-8,17-18H2,1-2H3,(H,29,32)(H,30,33)/t22?,24-,25-/m1/s1
InChIKeyILRBNXTVYDLLAU-QJBRXVLMSA-N
MW477.61 g/mol
LogP3.71
Rot. Bonds6

About N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 51071660) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID51071660
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C28H35N3O4/c1-19-9-11-21(12-10-19)28(34)31-17-5-6-22(18-31)27(33)30-25-8-4-3-7-24(25)29-26(32)20-13-15-23(35-2)16-14-20/h9-16,22,24-25H,3-8,17-18H2,1-2H3,(H,29,32)(H,30,33)/t22?,24-,25-/m1/s1
InChIKeyILRBNXTVYDLLAU-QJBRXVLMSA-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

Analyze N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 98418316
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
CID 46170920
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013704
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 51071660) is N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ILRBNXTVYDLLAU-QJBRXVLMSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-9-11-21(12-10-19)28(34)31-17-5-6-22(18-31)27(33)30-25-8-4-3-7-24(25)29-26(32)20-13-15-23(35-2)16-14-20/h9-16,22,24-25H,3-8,17-18H2,1-2H3,(H,29,32)(H,30,33)/t22?,24-,25-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-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 N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51071660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).