cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone

C20H29N3O — CID 113079016

IUPACcyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(17-5-4-6-17)23-15-13-22(14-16-23)19-9-7-18(8-10-19)21-11-2-1-3-12-21/h7-10,17H,1-6,11-16H2
InChIKeyRANISFXVQNXQBK-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.13
Rot. Bonds3

About cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone

cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113079016) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
PubChem CID113079016
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Namecyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(17-5-4-6-17)23-15-13-22(14-16-23)19-9-7-18(8-10-19)21-11-2-1-3-12-21/h7-10,17H,1-6,11-16H2
InChIKeyRANISFXVQNXQBK-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735913
(E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
CID 17418117
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone (CID 113079016) is cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is RANISFXVQNXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(17-5-4-6-17)23-15-13-22(14-16-23)19-9-7-18(8-10-19)21-11-2-1-3-12-21/h7-10,17H,1-6,11-16H2.
What are the key properties of cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 327.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113079016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).