N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide

C23H28N2O2 — CID 142811406

IUPACN-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCNC(=O)c1cc(C)cc(-c2cc(C(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C23H28N2O2/c1-4-24-22(26)20-13-16(2)12-19(14-20)21-15-18(9-8-17(21)3)23(27)25-10-6-5-7-11-25/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyHXMKZOFHOOUBFH-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.35
Rot. Bonds4

About N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide

N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 142811406) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID142811406
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCNC(=O)c1cc(C)cc(-c2cc(C(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C23H28N2O2/c1-4-24-22(26)20-13-16(2)12-19(14-20)21-15-18(9-8-17(21)3)23(27)25-10-6-5-7-11-25/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyHXMKZOFHOOUBFH-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
CID 86221983
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide (CID 142811406) is N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide is CCNC(=O)c1cc(C)cc(-c2cc(C(=O)N3CCCCC3)ccc2C)c1.
What is the InChIKey of N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is HXMKZOFHOOUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-24-22(26)20-13-16(2)12-19(14-20)21-15-18(9-8-17(21)3)23(27)25-10-6-5-7-11-25/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,26).
What are the key properties of N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide?
N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 142811406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).