N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide

C22H26N2O2 — CID 109044713

IUPACN-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O2/c1-3-24(20-9-7-8-17(2)16-20)22(26)19-12-10-18(11-13-19)21(25)23-14-5-4-6-15-23/h7-13,16H,3-6,14-15H2,1-2H3
InChIKeyJTOYAPPNWUPNBR-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.29
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide

N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide (PubChem CID 109044713) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
PubChem CID109044713
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O2/c1-3-24(20-9-7-8-17(2)16-20)22(26)19-12-10-18(11-13-19)21(25)23-14-5-4-6-15-23/h7-13,16H,3-6,14-15H2,1-2H3
InChIKeyJTOYAPPNWUPNBR-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056588
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide (CID 109044713) is N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide is CCN(C(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide?
The InChIKey is JTOYAPPNWUPNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24(20-9-7-8-17(2)16-20)22(26)19-12-10-18(11-13-19)21(25)23-14-5-4-6-15-23/h7-13,16H,3-6,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide?
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).