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

C23H29N3O2 — CID 52998873

IUPAC4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-3-18-9-11-20(12-10-18)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLUXBOTKKQDXSMM-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds5

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

4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 52998873) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
PubChem CID52998873
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-3-18-9-11-20(12-10-18)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLUXBOTKKQDXSMM-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-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
3-[2-(benzylamino)-2-oxoethyl]-N-(4-ethylphenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3619703
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide (CID 52998873) is 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide is CCc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is LUXBOTKKQDXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-18-9-11-20(12-10-18)25-22(28)26-15-13-23(2,14-16-26)21(27)24-17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(4-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-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52998873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).