4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide

C23H29N3O2 — CID 52998895

IUPAC4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-3-19-11-7-8-12-20(19)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-18-9-5-4-6-10-18/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBRIONBSFDUZZBU-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds5

About 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide

4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 52998895) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
PubChem CID52998895
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-3-19-11-7-8-12-20(19)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-18-9-5-4-6-10-18/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBRIONBSFDUZZBU-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 53070861
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide (CID 52998895) is 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide is CCc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is BRIONBSFDUZZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-19-11-7-8-12-20(19)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-18-9-5-4-6-10-18/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52998895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).