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

C15H25N3O — CID 82896584

IUPAC1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCNC(C)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C15H25N3O/c1-13(16-2)14-6-5-8-17(12-14)10-11-18-9-4-3-7-15(18)19/h3-4,7,9,13-14,16H,5-6,8,10-12H2,1-2H3
InChIKeyFCEKCSFQBUNFFD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.17
Rot. Bonds5

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

1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82896584) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82896584
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCNC(C)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C15H25N3O/c1-13(16-2)14-6-5-8-17(12-14)10-11-18-9-4-3-7-15(18)19/h3-4,7,9,13-14,16H,5-6,8,10-12H2,1-2H3
InChIKeyFCEKCSFQBUNFFD-UHFFFAOYSA-N
XLogP1.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
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-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
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-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (CID 82896584) is 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is CNC(C)C1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is FCEKCSFQBUNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(16-2)14-6-5-8-17(12-14)10-11-18-9-4-3-7-15(18)19/h3-4,7,9,13-14,16H,5-6,8,10-12H2,1-2H3.
What are the key properties of 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82896584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).