6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C13H19N3O2 — CID 113322539

IUPAC6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCC1CCCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c14-8-7-10-4-1-2-9-16(10)13(18)11-5-3-6-12(17)15-11/h3,5-6,10H,1-2,4,7-9,14H2,(H,15,17)
InChIKeyBDDRFTUURUXQAQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds3

About 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 113322539) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID113322539
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCC1CCCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c14-8-7-10-4-1-2-9-16(10)13(18)11-5-3-6-12(17)15-11/h3,5-6,10H,1-2,4,7-9,14H2,(H,15,17)
InChIKeyBDDRFTUURUXQAQ-UHFFFAOYSA-N
XLogP0.72
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447
6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114040292
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 82507381
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956136
6-[2-(aminomethyl)-6-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040275
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610326
[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119467848
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 63755916

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 113322539) is 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is NCCC1CCCCN1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is BDDRFTUURUXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-8-7-10-4-1-2-9-16(10)13(18)11-5-3-6-12(17)15-11/h3,5-6,10H,1-2,4,7-9,14H2,(H,15,17).
What are the key properties of 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 113322539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).