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

C25H35N3O3 — CID 93013804

IUPAC(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C25H35N3O3/c1-17-8-2-3-12-20(17)24(30)27-22-14-5-4-13-21(22)26-23(29)19-11-7-15-28(16-19)25(31)18-9-6-10-18/h2-3,8,12,18-19,21-22H,4-7,9-11,13-16H2,1H3,(H,26,29)(H,27,30)/t19-,21-,22-/m1/s1
InChIKeyHHIVZTLRYUAJND-CEMLEFRQSA-N
MW425.57 g/mol
LogP3.19
Rot. Bonds5

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

(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 93013804) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID93013804
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C25H35N3O3/c1-17-8-2-3-12-20(17)24(30)27-22-14-5-4-13-21(22)26-23(29)19-11-7-15-28(16-19)25(31)18-9-6-10-18/h2-3,8,12,18-19,21-22H,4-7,9-11,13-16H2,1H3,(H,26,29)(H,27,30)/t19-,21-,22-/m1/s1
InChIKeyHHIVZTLRYUAJND-CEMLEFRQSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(cyclobutanecarbonyl)-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
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071254
(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
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
CID 51071092
1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
CID 46170920

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (CID 93013804) is (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is HHIVZTLRYUAJND-CEMLEFRQSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-17-8-2-3-12-20(17)24(30)27-22-14-5-4-13-21(22)26-23(29)19-11-7-15-28(16-19)25(31)18-9-6-10-18/h2-3,8,12,18-19,21-22H,4-7,9-11,13-16H2,1H3,(H,26,29)(H,27,30)/t19-,21-,22-/m1/s1.
What are the key properties of (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 93013804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).