[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone

C16H21ClN2O — CID 134016732

IUPAC[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C16H21ClN2O/c1-18-9-11-19(12-10-18)15(20)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyKCLPCTZLEZEKAG-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.54
Rot. Bonds2

About [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134016732) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134016732
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C16H21ClN2O/c1-18-9-11-19(12-10-18)15(20)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyKCLPCTZLEZEKAG-UHFFFAOYSA-N
XLogP2.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
CID 55716635
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284166
2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55521589
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
CID 70719580
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334059
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone (CID 134016732) is [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KCLPCTZLEZEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-18-9-11-19(12-10-18)15(20)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 292.81 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134016732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).