(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

C20H27N3O2 — CID 95153578

IUPAC(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H27N3O2/c1-3-15(2)21-19(24)17-10-7-11-23(12-17)13-18-14-25-20(22-18)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,3,7,10-13H2,1-2H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyMINJXJHMDBKOPI-NVXWUHKLSA-N
MW341.45 g/mol
LogP3.47
Rot. Bonds6

About (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 95153578) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID95153578
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H27N3O2/c1-3-15(2)21-19(24)17-10-7-11-23(12-17)13-18-14-25-20(22-18)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,3,7,10-13H2,1-2H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyMINJXJHMDBKOPI-NVXWUHKLSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153579
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 86923626
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 129394063
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 55995549
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (CID 95153578) is (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MINJXJHMDBKOPI-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-15(2)21-19(24)17-10-7-11-23(12-17)13-18-14-25-20(22-18)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,3,7,10-13H2,1-2H3,(H,21,24)/t15-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95153578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).