4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide

C17H25ClN2O3 — CID 99836702

IUPAC4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide
SMILESCO[C@@H](C)[C@H](C)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O3/c1-12(13(2)23-3)19-16(21)20-10-8-17(22,9-11-20)14-6-4-5-7-15(14)18/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYDFBPRUWWOQZMH-STQMWFEESA-N
MW340.85 g/mol
LogP2.76
Rot. Bonds4

About 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide

4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide (PubChem CID 99836702) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide
PubChem CID99836702
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide
SMILESCO[C@@H](C)[C@H](C)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O3/c1-12(13(2)23-3)19-16(21)20-10-8-17(22,9-11-20)14-6-4-5-7-15(14)18/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYDFBPRUWWOQZMH-STQMWFEESA-N
XLogP2.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 139010957
4-(2-chlorophenyl)-1-phenylpiperidin-4-ol
CID 106820839
1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 99836237
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 58926861
(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
CID 126451892
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide (CID 99836702) is 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide is CO[C@@H](C)[C@H](C)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide?
The InChIKey is YDFBPRUWWOQZMH-STQMWFEESA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(13(2)23-3)19-16(21)20-10-8-17(22,9-11-20)14-6-4-5-7-15(14)18/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide?
4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99836702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).