1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide

C17H24N2O2 — CID 110686023

IUPAC1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-18(13-15-7-5-4-6-8-15)17(21)16-9-11-19(12-10-16)14(2)20/h4-8,16H,3,9-13H2,1-2H3
InChIKeyFMNNZMVNVQNJBS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds4

About 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide

1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide (PubChem CID 110686023) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
PubChem CID110686023
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-18(13-15-7-5-4-6-8-15)17(21)16-9-11-19(12-10-16)14(2)20/h4-8,16H,3,9-13H2,1-2H3
InChIKeyFMNNZMVNVQNJBS-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
CID 71737584
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide (CID 110686023) is 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is FMNNZMVNVQNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18(13-15-7-5-4-6-8-15)17(21)16-9-11-19(12-10-16)14(2)20/h4-8,16H,3,9-13H2,1-2H3.
What are the key properties of 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide?
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 110686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).