(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid

C14H18N2O4 — CID 50975830

IUPAC(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H18N2O4/c17-11-5-7-16(12(8-11)14(19)20)13(18)4-3-10-2-1-6-15-9-10/h1-2,6,9,11-12,17H,3-5,7-8H2,(H,19,20)/t11-,12+/m0/s1
InChIKeyHLYBALOFKKSLHE-NWDGAFQWSA-N
MW278.31 g/mol
LogP0.45
Rot. Bonds4

About (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid

(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 50975830) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID50975830
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H18N2O4/c17-11-5-7-16(12(8-11)14(19)20)13(18)4-3-10-2-1-6-15-9-10/h1-2,6,9,11-12,17H,3-5,7-8H2,(H,19,20)/t11-,12+/m0/s1
InChIKeyHLYBALOFKKSLHE-NWDGAFQWSA-N
XLogP0.45
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 131653797
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
1-[3-(3-bromophenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421829
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid (CID 50975830) is (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CCc1cccnc1.
What is the InChIKey of (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is HLYBALOFKKSLHE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-5-7-16(12(8-11)14(19)20)13(18)4-3-10-2-1-6-15-9-10/h1-2,6,9,11-12,17H,3-5,7-8H2,(H,19,20)/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 50975830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).