3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid

C14H18N2O3 — CID 62215598

IUPAC3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-6-12-5-1-2-9-16(12)14(19)11-4-3-8-15-10-11/h3-4,8,10,12H,1-2,5-7,9H2,(H,17,18)
InChIKeyBMEQSHCUKSMZRG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds4

About 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62215598) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62215598
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-6-12-5-1-2-9-16(12)14(19)11-4-3-8-15-10-11/h3-4,8,10,12H,1-2,5-7,9H2,(H,17,18)
InChIKeyBMEQSHCUKSMZRG-UHFFFAOYSA-N
XLogP1.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
CID 76937492
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
[2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110094495

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid (CID 62215598) is 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is BMEQSHCUKSMZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)7-6-12-5-1-2-9-16(12)14(19)11-4-3-8-15-10-11/h3-4,8,10,12H,1-2,5-7,9H2,(H,17,18).
What are the key properties of 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).