(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C21H27N3O4 — CID 26319411

IUPAC(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@@H](C(=O)NCc2cc(C(C)C)no2)CCC1=O
InChIInChI=1S/C21H27N3O4/c1-14(2)18-10-17(28-23-18)11-22-21(26)16-8-9-20(25)24(13-16)12-15-6-4-5-7-19(15)27-3/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyKMEGYEQPSQDGMU-INIZCTEOSA-N
MW385.46 g/mol
LogP2.86
Rot. Bonds7

About (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 26319411) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID26319411
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@@H](C(=O)NCc2cc(C(C)C)no2)CCC1=O
InChIInChI=1S/C21H27N3O4/c1-14(2)18-10-17(28-23-18)11-22-21(26)16-8-9-20(25)24(13-16)12-15-6-4-5-7-19(15)27-3/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyKMEGYEQPSQDGMU-INIZCTEOSA-N
XLogP2.86
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-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

1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 25370090
1-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793824
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584563
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182657
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 26319411) is (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is COc1ccccc1CN1C[C@@H](C(=O)NCc2cc(C(C)C)no2)CCC1=O.
What is the InChIKey of (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is KMEGYEQPSQDGMU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)18-10-17(28-23-18)11-22-21(26)16-8-9-20(25)24(13-16)12-15-6-4-5-7-19(15)27-3/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 26319411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).