(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide

C20H26N4O — CID 125140956

IUPAC(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NC2CC(c3ccccc3)C2)C[C@H]1n1ccnc1
InChIInChI=1S/C20H26N4O/c1-15-7-9-23(13-19(15)24-10-8-21-14-24)20(25)22-18-11-17(12-18)16-5-3-2-4-6-16/h2-6,8,10,14-15,17-19H,7,9,11-13H2,1H3,(H,22,25)/t15-,17?,18?,19+/m0/s1
InChIKeyLIBRUCUVSZIYNH-GWFLUQINSA-N
MW338.45 g/mol
LogP3.42
Rot. Bonds3

About (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide

(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide (PubChem CID 125140956) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
PubChem CID125140956
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NC2CC(c3ccccc3)C2)C[C@H]1n1ccnc1
InChIInChI=1S/C20H26N4O/c1-15-7-9-23(13-19(15)24-10-8-21-14-24)20(25)22-18-11-17(12-18)16-5-3-2-4-6-16/h2-6,8,10,14-15,17-19H,7,9,11-13H2,1H3,(H,22,25)/t15-,17?,18?,19+/m0/s1
InChIKeyLIBRUCUVSZIYNH-GWFLUQINSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024367
[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627109
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
(1S,6S)-9-methyl-N-(3-phenylcyclobutyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129423882
6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054346
(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124875203
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide (CID 125140956) is (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide is C[C@H]1CCN(C(=O)NC2CC(c3ccccc3)C2)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide?
The InChIKey is LIBRUCUVSZIYNH-GWFLUQINSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-7-9-23(13-19(15)24-10-8-21-14-24)20(25)22-18-11-17(12-18)16-5-3-2-4-6-16/h2-6,8,10,14-15,17-19H,7,9,11-13H2,1H3,(H,22,25)/t15-,17?,18?,19+/m0/s1.
What are the key properties of (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide?
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide is sourced from PubChem (CID 125140956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).