(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide

C16H23ClN2O3 — CID 2560282

IUPAC(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3/c17-14-5-3-12(4-6-14)10-22-11-15(20)9-19-7-1-2-13(8-19)16(18)21/h3-6,13,15,20H,1-2,7-11H2,(H2,18,21)/t13-,15+/m0/s1
InChIKeyDWUIIZMQWRWGOL-DZGCQCFKSA-N
MW326.82 g/mol
LogP1.41
Rot. Bonds7

About (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide

(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide (PubChem CID 2560282) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
PubChem CID2560282
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3/c17-14-5-3-12(4-6-14)10-22-11-15(20)9-19-7-1-2-13(8-19)16(18)21/h3-6,13,15,20H,1-2,7-11H2,(H2,18,21)/t13-,15+/m0/s1
InChIKeyDWUIIZMQWRWGOL-DZGCQCFKSA-N
XLogP1.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]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-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide (CID 2560282) is (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide?
The InChIKey is DWUIIZMQWRWGOL-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c17-14-5-3-12(4-6-14)10-22-11-15(20)9-19-7-1-2-13(8-19)16(18)21/h3-6,13,15,20H,1-2,7-11H2,(H2,18,21)/t13-,15+/m0/s1.
What are the key properties of (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide?
(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide is sourced from PubChem (CID 2560282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).