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

C16H23ClN2O3 — CID 39981125

IUPAC1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3/c17-14-3-1-12(2-4-14)10-22-11-15(20)9-19-7-5-13(6-8-19)16(18)21/h1-4,13,15,20H,5-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyJPMKMKULLLAGRP-HNNXBMFYSA-N
MW326.82 g/mol
LogP1.41
Rot. Bonds7

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

1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 39981125) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID39981125
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3/c17-14-3-1-12(2-4-14)10-22-11-15(20)9-19-7-5-13(6-8-19)16(18)21/h1-4,13,15,20H,5-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyJPMKMKULLLAGRP-HNNXBMFYSA-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

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Related Compounds

(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
5-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166295363
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
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-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (CID 39981125) is 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is NC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is JPMKMKULLLAGRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c17-14-3-1-12(2-4-14)10-22-11-15(20)9-19-7-5-13(6-8-19)16(18)21/h1-4,13,15,20H,5-11H2,(H2,18,21)/t15-/m0/s1.
What are the key properties of 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-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 1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 39981125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).