1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one

C19H25N3O — CID 94758177

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
SMILESCC1CCN(c2ccc(=O)n(Cc3ccc(CN)cc3)c2)CC1
InChIInChI=1S/C19H25N3O/c1-15-8-10-21(11-9-15)18-6-7-19(23)22(14-18)13-17-4-2-16(12-20)3-5-17/h2-7,14-15H,8-13,20H2,1H3
InChIKeyIPKAJJSTDPFFSY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds4

About 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one

1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one (PubChem CID 94758177) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
PubChem CID94758177
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
SMILESCC1CCN(c2ccc(=O)n(Cc3ccc(CN)cc3)c2)CC1
InChIInChI=1S/C19H25N3O/c1-15-8-10-21(11-9-15)18-6-7-19(23)22(14-18)13-17-4-2-16(12-20)3-5-17/h2-7,14-15H,8-13,20H2,1H3
InChIKeyIPKAJJSTDPFFSY-UHFFFAOYSA-N
XLogP2.59
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 82032054
N-(2-aminoethyl)-5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanamide
CID 39151053
1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
CID 82032049
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
CID 82199390
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
CID 82031284
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one (CID 94758177) is 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one is CC1CCN(c2ccc(=O)n(Cc3ccc(CN)cc3)c2)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The InChIKey is IPKAJJSTDPFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-8-10-21(11-9-15)18-6-7-19(23)22(14-18)13-17-4-2-16(12-20)3-5-17/h2-7,14-15H,8-13,20H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one?
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 94758177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).