1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

C21H30N2O4 — CID 24817162

IUPAC1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)CC3CCOCC3)CCC2=O)c1
InChIInChI=1S/C21H30N2O4/c1-22(13-16-8-10-27-11-9-16)21(25)18-6-7-20(24)23(15-18)14-17-4-3-5-19(12-17)26-2/h3-5,12,16,18H,6-11,13-15H2,1-2H3
InChIKeyNTLTVJUYGNRSAR-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.32
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24817162) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24817162
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)CC3CCOCC3)CCC2=O)c1
InChIInChI=1S/C21H30N2O4/c1-22(13-16-8-10-27-11-9-16)21(25)18-6-7-20(24)23(15-18)14-17-4-3-5-19(12-17)26-2/h3-5,12,16,18H,6-11,13-15H2,1-2H3
InChIKeyNTLTVJUYGNRSAR-UHFFFAOYSA-N
XLogP2.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 24817162) is 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)N(C)CC3CCOCC3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is NTLTVJUYGNRSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-22(13-16-8-10-27-11-9-16)21(25)18-6-7-20(24)23(15-18)14-17-4-3-5-19(12-17)26-2/h3-5,12,16,18H,6-11,13-15H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).