N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide

C20H23N3O3 — CID 44578175

IUPACN-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-21-19(24)15-6-5-7-16(14-15)22-20(25)23-12-10-18(11-13-23)26-17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUHTPHXYOBRNKCL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.12
Rot. Bonds4

About N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide

N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide (PubChem CID 44578175) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide
PubChem CID44578175
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-21-19(24)15-6-5-7-16(14-15)22-20(25)23-12-10-18(11-13-23)26-17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUHTPHXYOBRNKCL-UHFFFAOYSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-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 N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide (CID 44578175) is N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide?
The InChIKey is UHTPHXYOBRNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21-19(24)15-6-5-7-16(14-15)22-20(25)23-12-10-18(11-13-23)26-17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-4-phenoxypiperidine-1-carboxamide is sourced from PubChem (CID 44578175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).