1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid

C15H18N2O3 — CID 68604423

IUPAC1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccccn1)N1CCC(C2(C(=O)O)CC2)CC1
InChIInChI=1S/C15H18N2O3/c18-13(12-3-1-2-8-16-12)17-9-4-11(5-10-17)15(6-7-15)14(19)20/h1-3,8,11H,4-7,9-10H2,(H,19,20)
InChIKeyQHIKYSIRKAFHPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds3

About 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid

1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 68604423) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID68604423
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccccn1)N1CCC(C2(C(=O)O)CC2)CC1
InChIInChI=1S/C15H18N2O3/c18-13(12-3-1-2-8-16-12)17-9-4-11(5-10-17)15(6-7-15)14(19)20/h1-3,8,11H,4-7,9-10H2,(H,19,20)
InChIKeyQHIKYSIRKAFHPE-UHFFFAOYSA-N
XLogP1.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-2-(pyridine-2-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682632
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid (CID 68604423) is 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid is O=C(c1ccccn1)N1CCC(C2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is QHIKYSIRKAFHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(12-3-1-2-8-16-12)17-9-4-11(5-10-17)15(6-7-15)14(19)20/h1-3,8,11H,4-7,9-10H2,(H,19,20).
What are the key properties of 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68604423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).