(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide

C12H14ClN3O3 — CID 129485786

IUPAC(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H14ClN3O3/c13-9-6-15-4-2-8(9)10(17)16-5-1-3-12(19,7-16)11(14)18/h2,4,6,19H,1,3,5,7H2,(H2,14,18)/t12-/m0/s1
InChIKeyLSSFSOSKDBKEMF-LBPRGKRZSA-N
MW283.71 g/mol
LogP0.19
Rot. Bonds2

About (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129485786) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129485786
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H14ClN3O3/c13-9-6-15-4-2-8(9)10(17)16-5-1-3-12(19,7-16)11(14)18/h2,4,6,19H,1,3,5,7H2,(H2,14,18)/t12-/m0/s1
InChIKeyLSSFSOSKDBKEMF-LBPRGKRZSA-N
XLogP0.19
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide (CID 129485786) is (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(C(=O)c2ccncc2Cl)C1.
What is the InChIKey of (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is LSSFSOSKDBKEMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-6-15-4-2-8(9)10(17)16-5-1-3-12(19,7-16)11(14)18/h2,4,6,19H,1,3,5,7H2,(H2,14,18)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129485786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).