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

C13H21N3O — CID 82897538

IUPAC1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H21N3O/c14-10-12-4-3-6-15(11-12)8-9-16-7-2-1-5-13(16)17/h1-2,5,7,12H,3-4,6,8-11,14H2
InChIKeyNGKPNAFWSUYSJH-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.52
Rot. Bonds4

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

1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82897538) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82897538
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H21N3O/c14-10-12-4-3-6-15(11-12)8-9-16-7-2-1-5-13(16)17/h1-2,5,7,12H,3-4,6,8-11,14H2
InChIKeyNGKPNAFWSUYSJH-UHFFFAOYSA-N
XLogP0.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82907483
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 82897538) is 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one is NCC1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is NGKPNAFWSUYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-10-12-4-3-6-15(11-12)8-9-16-7-2-1-5-13(16)17/h1-2,5,7,12H,3-4,6,8-11,14H2.
What are the key properties of 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82897538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).