N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

C23H28N2O2 — CID 109056588

IUPACN-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1cccc(C(=O)N2CCCC(C)C2)c1)c1cccc(C)c1
InChIInChI=1S/C23H28N2O2/c1-4-25(21-12-5-8-17(2)14-21)23(27)20-11-6-10-19(15-20)22(26)24-13-7-9-18(3)16-24/h5-6,8,10-12,14-15,18H,4,7,9,13,16H2,1-3H3
InChIKeyYILCBMHSYQGNFE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.53
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109056588) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109056588
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1cccc(C(=O)N2CCCC(C)C2)c1)c1cccc(C)c1
InChIInChI=1S/C23H28N2O2/c1-4-25(21-12-5-8-17(2)14-21)23(27)20-11-6-10-19(15-20)22(26)24-13-7-9-18(3)16-24/h5-6,8,10-12,14-15,18H,4,7,9,13,16H2,1-3H3
InChIKeyYILCBMHSYQGNFE-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 116655222
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (CID 109056588) is N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide is CCN(C(=O)c1cccc(C(=O)N2CCCC(C)C2)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is YILCBMHSYQGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-25(21-12-5-8-17(2)14-21)23(27)20-11-6-10-19(15-20)22(26)24-13-7-9-18(3)16-24/h5-6,8,10-12,14-15,18H,4,7,9,13,16H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.53, 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)-3-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109056588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).