(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide

C15H19ClN2O3 — CID 129491751

IUPAC(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1C
InChIInChI=1S/C15H19ClN2O3/c1-9-6-11(12(16)7-10(9)2)13(19)18-5-3-4-15(21,8-18)14(17)20/h6-7,21H,3-5,8H2,1-2H3,(H2,17,20)/t15-/m1/s1
InChIKeyGUCIWUZSYSKBJT-OAHLLOKOSA-N
MW310.78 g/mol
LogP1.41
Rot. Bonds2

About (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide

(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129491751) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129491751
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1C
InChIInChI=1S/C15H19ClN2O3/c1-9-6-11(12(16)7-10(9)2)13(19)18-5-3-4-15(21,8-18)14(17)20/h6-7,21H,3-5,8H2,1-2H3,(H2,17,20)/t15-/m1/s1
InChIKeyGUCIWUZSYSKBJT-OAHLLOKOSA-N
XLogP1.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
1-(2-chloro-4,5-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 120529626
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 129491751) is (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide is Cc1cc(Cl)c(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1C.
What is the InChIKey of (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is GUCIWUZSYSKBJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-6-11(12(16)7-10(9)2)13(19)18-5-3-4-15(21,8-18)14(17)20/h6-7,21H,3-5,8H2,1-2H3,(H2,17,20)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129491751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).