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

C16H27N3O — CID 82896565

IUPAC1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCCNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H27N3O/c1-2-8-17-13-15-6-5-9-18(14-15)11-12-19-10-4-3-7-16(19)20/h3-4,7,10,15,17H,2,5-6,8-9,11-14H2,1H3
InChIKeyDZBIZUXANPFVKB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.56
Rot. Bonds7

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

1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82896565) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82896565
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCCNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H27N3O/c1-2-8-17-13-15-6-5-9-18(14-15)11-12-19-10-4-3-7-16(19)20/h3-4,7,10,15,17H,2,5-6,8-9,11-14H2,1H3
InChIKeyDZBIZUXANPFVKB-UHFFFAOYSA-N
XLogP1.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 82896777
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82907483

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 82896565) is 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one is CCCNCC1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is DZBIZUXANPFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-8-17-13-15-6-5-9-18(14-15)11-12-19-10-4-3-7-16(19)20/h3-4,7,10,15,17H,2,5-6,8-9,11-14H2,1H3.
What are the key properties of 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).