1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid

C13H15N3O2 — CID 62893250

IUPAC1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESN#Cc1ncccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c14-7-12-10(3-1-5-15-12)8-16-6-2-4-11(9-16)13(17)18/h1,3,5,11H,2,4,6,8-9H2,(H,17,18)
InChIKeyPDPVWAPLDGYBMT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.25
Rot. Bonds3

About 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid

1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 62893250) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID62893250
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESN#Cc1ncccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c14-7-12-10(3-1-5-15-12)8-16-6-2-4-11(9-16)13(17)18/h1,3,5,11H,2,4,6,8-9H2,(H,17,18)
InChIKeyPDPVWAPLDGYBMT-UHFFFAOYSA-N
XLogP1.25
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 62893590
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 62919235
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904911
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 62893250) is 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid is N#Cc1ncccc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is PDPVWAPLDGYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-12-10(3-1-5-15-12)8-16-6-2-4-11(9-16)13(17)18/h1,3,5,11H,2,4,6,8-9H2,(H,17,18).
What are the key properties of 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).