3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

C15H25N3O — CID 57050952

IUPAC3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESNCCCCc1c(CN2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C15H25N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h7,9H,1-6,8,10-12,16H2,(H,17,19)
InChIKeyUAEJXEOVAGMHSD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.64
Rot. Bonds6

About 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 57050952) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID57050952
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESNCCCCc1c(CN2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C15H25N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h7,9H,1-6,8,10-12,16H2,(H,17,19)
InChIKeyUAEJXEOVAGMHSD-UHFFFAOYSA-N
XLogP1.64
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (CID 57050952) is 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one is NCCCCc1c(CN2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is UAEJXEOVAGMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h7,9H,1-6,8,10-12,16H2,(H,17,19).
What are the key properties of 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57050952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).