2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone

C17H27N3O — CID 109002124

IUPAC2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-10-18(2)15-17(21)20-13-11-19(12-14-20)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyCWWXYWMEBKMDCV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone

2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 109002124) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID109002124
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-10-18(2)15-17(21)20-13-11-19(12-14-20)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyCWWXYWMEBKMDCV-UHFFFAOYSA-N
XLogP2.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
2-[butyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 78791109
4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 108995940
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
CID 60509956
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone (CID 109002124) is 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone is CCCCN(C)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is CWWXYWMEBKMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-10-18(2)15-17(21)20-13-11-19(12-14-20)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).