2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide

C15H17N3O2 — CID 94022780

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCC[C@H](O)C2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20)/t10-/m0/s1
InChIKeyFSYHMVNHOWCUQX-JTQLQIEISA-N
MW271.32 g/mol
LogP1.29
Rot. Bonds2

About 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide

2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide (PubChem CID 94022780) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
PubChem CID94022780
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCC[C@H](O)C2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20)/t10-/m0/s1
InChIKeyFSYHMVNHOWCUQX-JTQLQIEISA-N
XLogP1.29
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
CID 63885913
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-(3-ethylpiperidin-1-yl)quinoline-4-carbothioamide
CID 63885900
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
2-(3,4-dimethylpiperazin-1-yl)quinoline-4-carbothioamide
CID 63884948

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide (CID 94022780) is 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide is NC(=O)c1cc(N2CCC[C@H](O)C2)nc2ccccc12.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide?
The InChIKey is FSYHMVNHOWCUQX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide?
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 94022780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).