(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone

C17H24N2O — CID 110657856

IUPAC(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
SMILESCC1CN(C(=O)C2CCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-14-12-19(17(20)16-8-5-9-16)11-10-18(14)13-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3
InChIKeyHRIAFCJTCFKQLV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.52
Rot. Bonds3

About (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone

(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone (PubChem CID 110657856) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
PubChem CID110657856
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
SMILESCC1CN(C(=O)C2CCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-14-12-19(17(20)16-8-5-9-16)11-10-18(14)13-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3
InChIKeyHRIAFCJTCFKQLV-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119896962
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
1-(4-benzyl-3-methylpiperazin-1-yl)octadecan-1-one
CID 68996989
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone?
The IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone (CID 110657856) is (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone is CC1CN(C(=O)C2CCC2)CCN1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone?
The InChIKey is HRIAFCJTCFKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-12-19(17(20)16-8-5-9-16)11-10-18(14)13-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3.
What are the key properties of (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone?
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 110657856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).