(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide

C20H25ClN4O — CID 97187128

IUPAC(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H25ClN4O/c21-17-8-1-2-9-18(17)23-20(26)25-11-4-7-16(14-25)19-22-10-12-24(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2,(H,23,26)/t16-/m1/s1
InChIKeyNFJGFLYMLWDLKB-MRXNPFEDSA-N
MW372.90 g/mol
LogP4.75
Rot. Bonds4

About (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide

(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 97187128) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
PubChem CID97187128
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H25ClN4O/c21-17-8-1-2-9-18(17)23-20(26)25-11-4-7-16(14-25)19-22-10-12-24(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2,(H,23,26)/t16-/m1/s1
InChIKeyNFJGFLYMLWDLKB-MRXNPFEDSA-N
XLogP4.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97120414
(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128366
(3R)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128365
N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70739555
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide (CID 97187128) is (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is NFJGFLYMLWDLKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-17-8-1-2-9-18(17)23-20(26)25-11-4-7-16(14-25)19-22-10-12-24(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97187128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).