N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide

C23H28N2O2 — CID 109047100

IUPACN-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-21-11-7-8-16-25(21)23(27)20-14-12-19(13-15-20)22(26)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,21H,3,7-8,11,16-17H2,1-2H3
InChIKeyJSYQSQXXFKDBGC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide

N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide (PubChem CID 109047100) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
PubChem CID109047100
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-21-11-7-8-16-25(21)23(27)20-14-12-19(13-15-20)22(26)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,21H,3,7-8,11,16-17H2,1-2H3
InChIKeyJSYQSQXXFKDBGC-UHFFFAOYSA-N
XLogP4.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109239732
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide?
The IUPAC name of N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide (CID 109047100) is N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide is CCC1CCCCN1C(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide?
The InChIKey is JSYQSQXXFKDBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-21-11-7-8-16-25(21)23(27)20-14-12-19(13-15-20)22(26)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,21H,3,7-8,11,16-17H2,1-2H3.
What are the key properties of N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide?
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide is sourced from PubChem (CID 109047100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).