N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide

C22H27N3O3 — CID 644562

IUPACN-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H27N3O3/c1-3-28-20-11-7-6-10-19(20)24-22(27)25-14-12-17(13-15-25)23-21(26)18-9-5-4-8-16(18)2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTWEHFHRULGFEPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.82
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (PubChem CID 644562) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
PubChem CID644562
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H27N3O3/c1-3-28-20-11-7-6-10-19(20)24-22(27)25-14-12-17(13-15-25)23-21(26)18-9-5-4-8-16(18)2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTWEHFHRULGFEPM-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (CID 644562) is N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is TWEHFHRULGFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-28-20-11-7-6-10-19(20)24-22(27)25-14-12-17(13-15-25)23-21(26)18-9-5-4-8-16(18)2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 644562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).