N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

C24H30N2O2 — CID 113004413

IUPACN-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-25(18-20-9-5-4-6-10-20)24(28)22-12-14-26(15-13-22)23(27)17-21-11-7-8-19(2)16-21/h4-11,16,22H,3,12-15,17-18H2,1-2H3
InChIKeyXDUUITXXGBTJOB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113004413) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113004413
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-25(18-20-9-5-4-6-10-20)24(28)22-12-14-26(15-13-22)23(27)17-21-11-7-8-19(2)16-21/h4-11,16,22H,3,12-15,17-18H2,1-2H3
InChIKeyXDUUITXXGBTJOB-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113004413) is N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is XDUUITXXGBTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-25(18-20-9-5-4-6-10-20)24(28)22-12-14-26(15-13-22)23(27)17-21-11-7-8-19(2)16-21/h4-11,16,22H,3,12-15,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113004413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).