1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one

C16H22N2O2 — CID 110477513

IUPAC1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(C)=O)CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-16(20)18-10-9-17(13(2)19)12-15(18)11-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyAMAAJHALQQOVLK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one

1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one (PubChem CID 110477513) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
PubChem CID110477513
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(C)=O)CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-16(20)18-10-9-17(13(2)19)12-15(18)11-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyAMAAJHALQQOVLK-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
4-[(3S)-4-acetyl-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
CID 134158397
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
1-[2-benzyl-4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperazin-1-yl]ethanone
CID 145145627
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid
CID 177187775
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one
CID 68996990
(2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylic acid
CID 68665483

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one (CID 110477513) is 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(C)=O)CC1Cc1ccccc1.
What is the InChIKey of 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is AMAAJHALQQOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-16(20)18-10-9-17(13(2)19)12-15(18)11-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3.
What are the key properties of 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one?
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110477513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).