1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide

C25H31N3O4 — CID 46104197

IUPAC1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C25H31N3O4/c1-17-8-2-3-10-19(17)24(30)27-21-12-5-4-11-20(21)26-23(29)18-9-6-14-28(16-18)25(31)22-13-7-15-32-22/h2-3,7-8,10,13,15,18,20-21H,4-6,9,11-12,14,16H2,1H3,(H,26,29)(H,27,30)/t18?,20?,21-/m1/s1
InChIKeyHANMZIKUIBSEKR-DQVLVPHSSA-N
MW437.54 g/mol
LogP3.30
Rot. Bonds5

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

1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 46104197) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID46104197
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C25H31N3O4/c1-17-8-2-3-10-19(17)24(30)27-21-12-5-4-11-20(21)26-23(29)18-9-6-14-28(16-18)25(31)22-13-7-15-32-22/h2-3,7-8,10,13,15,18,20-21H,4-6,9,11-12,14,16H2,1H3,(H,26,29)(H,27,30)/t18?,20?,21-/m1/s1
InChIKeyHANMZIKUIBSEKR-DQVLVPHSSA-N
XLogP3.30
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-carbonyl)-N-[(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-(2-bromobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013816
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
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
(3S)-1-butanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013762
(3R)-1-(3,4-dichlorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013796
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
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
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
1-(furan-2-carbonyl)-N-(3-iodo-4-methylphenyl)piperidine-3-carboxamide
CID 46526702

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (CID 46104197) is 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is Cc1ccccc1C(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is HANMZIKUIBSEKR-DQVLVPHSSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-17-8-2-3-10-19(17)24(30)27-21-12-5-4-11-20(21)26-23(29)18-9-6-14-28(16-18)25(31)22-13-7-15-32-22/h2-3,7-8,10,13,15,18,20-21H,4-6,9,11-12,14,16H2,1H3,(H,26,29)(H,27,30)/t18?,20?,21-/m1/s1.
What are the key properties of 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 46104197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).