1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one

C14H23N3O — CID 82898009

IUPAC1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCC(N)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H23N3O/c1-12(15)13-5-4-7-16(11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,12-13H,4-5,7,9-11,15H2,1H3
InChIKeyTZUYZQGYGQHGIO-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82898009) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82898009
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCC(N)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H23N3O/c1-12(15)13-5-4-7-16(11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,12-13H,4-5,7,9-11,15H2,1H3
InChIKeyTZUYZQGYGQHGIO-UHFFFAOYSA-N
XLogP0.91
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907517
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 82898009) is 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one is CC(N)C1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is TZUYZQGYGQHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(15)13-5-4-7-16(11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,12-13H,4-5,7,9-11,15H2,1H3.
What are the key properties of 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82898009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).