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

C24H33N3O3 — CID 51071254

IUPAC1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C24H33N3O3/c1-16-7-2-3-9-19(16)23(29)26-21-11-5-4-10-20(21)25-22(28)18-8-6-14-27(15-18)24(30)17-12-13-17/h2-3,7,9,17-18,20-21H,4-6,8,10-15H2,1H3,(H,25,28)(H,26,29)/t18?,20-,21-/m1/s1
InChIKeyVADHCRNBJCIAFJ-VTVVEXCCSA-N
MW411.55 g/mol
LogP2.80
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 51071254) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID51071254
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C24H33N3O3/c1-16-7-2-3-9-19(16)23(29)26-21-11-5-4-10-20(21)25-22(28)18-8-6-14-27(15-18)24(30)17-12-13-17/h2-3,7,9,17-18,20-21H,4-6,8,10-15H2,1H3,(H,25,28)(H,26,29)/t18?,20-,21-/m1/s1
InChIKeyVADHCRNBJCIAFJ-VTVVEXCCSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-1-(cyclohexanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013781
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013804
(3S)-1-butanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013762
(3R)-1-(2-bromobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013816
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 46104197
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
(3R)-1-(3,4-dichlorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013796
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
1-(4-bromophenyl)sulfonyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071388
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 51071393
1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
CID 46170920
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
CID 51071092

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (CID 51071254) is 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is VADHCRNBJCIAFJ-VTVVEXCCSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-7-2-3-9-19(16)23(29)26-21-11-5-4-10-20(21)25-22(28)18-8-6-14-27(15-18)24(30)17-12-13-17/h2-3,7,9,17-18,20-21H,4-6,8,10-15H2,1H3,(H,25,28)(H,26,29)/t18?,20-,21-/m1/s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 51071254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).