3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C14H21N3O2 — CID 80551458

IUPAC3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCNCC1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-15-10-11-5-8-17(9-6-11)14(19)12-4-3-7-16-13(12)18/h3-4,7,11,15H,2,5-6,8-10H2,1H3,(H,16,18)
InChIKeyQSHYTOKNFPZYKG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds4

About 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 80551458) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID80551458
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCNCC1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-15-10-11-5-8-17(9-6-11)14(19)12-4-3-7-16-13(12)18/h3-4,7,11,15H,2,5-6,8-10H2,1H3,(H,16,18)
InChIKeyQSHYTOKNFPZYKG-UHFFFAOYSA-N
XLogP0.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 80551458) is 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CCNCC1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QSHYTOKNFPZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-15-10-11-5-8-17(9-6-11)14(19)12-4-3-7-16-13(12)18/h3-4,7,11,15H,2,5-6,8-10H2,1H3,(H,16,18).
What are the key properties of 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 80551458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).