(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C24H30N4O2 — CID 93013854

IUPAC(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1
InChIInChI=1S/C24H30N4O2/c29-23(25-16-20-11-7-15-30-20)18-8-6-14-27(17-18)24-26-21-12-4-5-13-22(21)28(24)19-9-2-1-3-10-19/h4-5,7,11-13,15,18-19H,1-3,6,8-10,14,16-17H2,(H,25,29)/t18-/m0/s1
InChIKeyGJNKNYYVUFXMDH-SFHVURJKSA-N
MW406.53 g/mol
LogP4.67
Rot. Bonds5

About (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 93013854) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID93013854
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1
InChIInChI=1S/C24H30N4O2/c29-23(25-16-20-11-7-15-30-20)18-8-6-14-27(17-18)24-26-21-12-4-5-13-22(21)28(24)19-9-2-1-3-10-19/h4-5,7,11-13,15,18-19H,1-3,6,8-10,14,16-17H2,(H,25,29)/t18-/m0/s1
InChIKeyGJNKNYYVUFXMDH-SFHVURJKSA-N
XLogP4.67
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106625
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 25458988
[(3R)-1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 93015112
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 46106644
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92869777
N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 93013854) is (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccco1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1.
What is the InChIKey of (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GJNKNYYVUFXMDH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23(25-16-20-11-7-15-30-20)18-8-6-14-27(17-18)24-26-21-12-4-5-13-22(21)28(24)19-9-2-1-3-10-19/h4-5,7,11-13,15,18-19H,1-3,6,8-10,14,16-17H2,(H,25,29)/t18-/m0/s1.
What are the key properties of (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 93013854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).