2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide

C20H25N3O2 — CID 60577667

IUPAC2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-16-6-2-5-13-23(16)20(25)21-14-17-8-10-18(11-9-17)15-22-12-4-3-7-19(22)24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,21,25)
InChIKeyFPIDIWROSGODKJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.98
Rot. Bonds4

About 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide

2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 60577667) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID60577667
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-16-6-2-5-13-23(16)20(25)21-14-17-8-10-18(11-9-17)15-22-12-4-3-7-19(22)24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,21,25)
InChIKeyFPIDIWROSGODKJ-UHFFFAOYSA-N
XLogP2.98
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide (CID 60577667) is 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide is CC1CCCCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is FPIDIWROSGODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-2-5-13-23(16)20(25)21-14-17-8-10-18(11-9-17)15-22-12-4-3-7-19(22)24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,21,25).
What are the key properties of 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 60577667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).