(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide

C14H17ClN2O4 — CID 129485552

IUPAC(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C14H17ClN2O4/c1-21-11-7-9(15)3-4-10(11)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyHQNOXCKWJLKGMM-AWEZNQCLSA-N
MW312.75 g/mol
LogP0.80
Rot. Bonds3

About (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129485552) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129485552
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C14H17ClN2O4/c1-21-11-7-9(15)3-4-10(11)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyHQNOXCKWJLKGMM-AWEZNQCLSA-N
XLogP0.80
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
(4-chloro-2-methoxyphenyl)-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
CID 72881471
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 129485552) is (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide is COc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(C(N)=O)C1.
What is the InChIKey of (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is HQNOXCKWJLKGMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-21-11-7-9(15)3-4-10(11)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 312.75 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129485552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).