(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid

C13H18N2O2 — CID 92864030

IUPAC(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)9-12(11-5-4-6-14-10-11)15-7-2-1-3-8-15/h4-6,10,12H,1-3,7-9H2,(H,16,17)/t12-/m0/s1
InChIKeyRFTKGUMQAKDOFH-LBPRGKRZSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds4

About (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid

(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid (PubChem CID 92864030) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
PubChem CID92864030
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)9-12(11-5-4-6-14-10-11)15-7-2-1-3-8-15/h4-6,10,12H,1-3,7-9H2,(H,16,17)/t12-/m0/s1
InChIKeyRFTKGUMQAKDOFH-LBPRGKRZSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745

Frequently Asked Questions

What is the IUPAC name of (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid (CID 92864030) is (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid is O=C(O)C[C@@H](c1cccnc1)N1CCCCC1.
What is the InChIKey of (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid?
The InChIKey is RFTKGUMQAKDOFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)9-12(11-5-4-6-14-10-11)15-7-2-1-3-8-15/h4-6,10,12H,1-3,7-9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid?
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 92864030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).