(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

C16H21N3O3 — CID 95771355

IUPAC(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC[C@@H](CO)C3)ccc2o1
InChIInChI=1S/C16H21N3O3/c1-2-15-18-13-8-12(5-6-14(13)22-15)17-16(21)19-7-3-4-11(9-19)10-20/h5-6,8,11,20H,2-4,7,9-10H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyKCYZJGOYPQWHEB-LLVKDONJSA-N
MW303.36 g/mol
LogP2.63
Rot. Bonds3

About (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 95771355) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID95771355
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC[C@@H](CO)C3)ccc2o1
InChIInChI=1S/C16H21N3O3/c1-2-15-18-13-8-12(5-6-14(13)22-15)17-16(21)19-7-3-4-11(9-19)10-20/h5-6,8,11,20H,2-4,7,9-10H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyKCYZJGOYPQWHEB-LLVKDONJSA-N
XLogP2.63
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-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

N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 127934447
(3S)-N-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 71992250
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992151
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 95771355) is (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is CCc1nc2cc(NC(=O)N3CCC[C@@H](CO)C3)ccc2o1.
What is the InChIKey of (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KCYZJGOYPQWHEB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-15-18-13-8-12(5-6-14(13)22-15)17-16(21)19-7-3-4-11(9-19)10-20/h5-6,8,11,20H,2-4,7,9-10H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95771355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).