1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone

C17H23ClNO+ — CID 144796652

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H22ClNO/c18-15-7-5-14(6-8-15)17(9-4-10-17)16(20)13-19-11-2-1-3-12-19/h5-8H,1-4,9-13H2/p+1
InChIKeyOHWQESNPOLNUDZ-UHFFFAOYSA-O
MW292.83 g/mol
LogP2.40
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone

1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone (PubChem CID 144796652) has the molecular formula C17H23ClNO+ and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
PubChem CID144796652
Molecular FormulaC17H23ClNO+
Molecular Weight292.83 g/mol
Exact Mass292.15
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H22ClNO/c18-15-7-5-14(6-8-15)17(9-4-10-17)16(20)13-19-11-2-1-3-12-19/h5-8H,1-4,9-13H2/p+1
InChIKeyOHWQESNPOLNUDZ-UHFFFAOYSA-O
XLogP2.40
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
CID 140667657
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
2-[2-[1-(4-chlorophenyl)cyclopropyl]-2-oxoethyl]cyclooct-2-en-1-one
CID 67365765
2-bromo-1-[1-(4-chlorophenyl)cyclobutyl]-3-phenylpropan-1-one
CID 21258466
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone
CID 68641753
phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454500
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone (CID 144796652) is 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone is O=C(C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone?
The InChIKey is OHWQESNPOLNUDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22ClNO/c18-15-7-5-14(6-8-15)17(9-4-10-17)16(20)13-19-11-2-1-3-12-19/h5-8H,1-4,9-13H2/p+1.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone?
1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone has a molecular weight of 292.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone is sourced from PubChem (CID 144796652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).