(1-phenylcyclobutyl)-piperazin-1-ylmethanone

C15H20N2O — CID 110463899

IUPAC(1-phenylcyclobutyl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H20N2O/c18-14(17-11-9-16-10-12-17)15(7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2
InChIKeyCKZDWKIFIQXOHB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds2

About (1-phenylcyclobutyl)-piperazin-1-ylmethanone

(1-phenylcyclobutyl)-piperazin-1-ylmethanone (PubChem CID 110463899) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1-phenylcyclobutyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclobutyl)-piperazin-1-ylmethanone
PubChem CID110463899
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1-phenylcyclobutyl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H20N2O/c18-14(17-11-9-16-10-12-17)15(7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2
InChIKeyCKZDWKIFIQXOHB-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 18536151
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclobutyl)-piperazin-1-ylmethanone?
The IUPAC name of (1-phenylcyclobutyl)-piperazin-1-ylmethanone (CID 110463899) is (1-phenylcyclobutyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-phenylcyclobutyl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-phenylcyclobutyl)-piperazin-1-ylmethanone is O=C(N1CCNCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of (1-phenylcyclobutyl)-piperazin-1-ylmethanone?
The InChIKey is CKZDWKIFIQXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(17-11-9-16-10-12-17)15(7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2.
What are the key properties of (1-phenylcyclobutyl)-piperazin-1-ylmethanone?
(1-phenylcyclobutyl)-piperazin-1-ylmethanone has a molecular weight of 244.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclobutyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 110463899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).