2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide

C17H27N3O — CID 82250593

IUPAC2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C)NCC1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)17(21)20-13-14(3)18-12-16(20)11-15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeyDFIAETLOPLHEEL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.35
Rot. Bonds4

About 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide

2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide (PubChem CID 82250593) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide
PubChem CID82250593
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C)NCC1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)17(21)20-13-14(3)18-12-16(20)11-15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeyDFIAETLOPLHEEL-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,5-dimethylpiperazine
CID 64844005
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149
2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250163
2-benzyl-5-methylpiperidine-1-carboxylic acid
CID 175023427
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82248267
2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943580

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide?
The IUPAC name of 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide (CID 82250593) is 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CC(C)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide?
The InChIKey is DFIAETLOPLHEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19(5-2)17(21)20-13-14(3)18-12-16(20)11-15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3.
What are the key properties of 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide?
2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide is sourced from PubChem (CID 82250593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).