1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

C21H23N3O3 — CID 3240991

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-4-6-15(12-17)13-22-20(25)16-7-5-11-24(14-16)21-23-18-9-2-3-10-19(18)27-21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,25)
InChIKeyUFQCMIGISPJYRF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 3240991) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID3240991
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-4-6-15(12-17)13-22-20(25)16-7-5-11-24(14-16)21-23-18-9-2-3-10-19(18)27-21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,25)
InChIKeyUFQCMIGISPJYRF-UHFFFAOYSA-N
XLogP3.37
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-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-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 3240991) is 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UFQCMIGISPJYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-8-4-6-15(12-17)13-22-20(25)16-7-5-11-24(14-16)21-23-18-9-2-3-10-19(18)27-21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,25).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3240991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).