1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one

C18H23Cl2NO — CID 19823652

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(N1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H23Cl2NO/c1-13(22)17(21-10-3-2-4-11-21)18(8-5-9-18)14-6-7-15(19)16(20)12-14/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeySPTFIMRHCCIORR-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.86
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one

1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one (PubChem CID 19823652) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one
PubChem CID19823652
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(N1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H23Cl2NO/c1-13(22)17(21-10-3-2-4-11-21)18(8-5-9-18)14-6-7-15(19)16(20)12-14/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeySPTFIMRHCCIORR-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one 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

(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
1-(3,4-Dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5218417
1-(3,4-Dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11150726
1-(3,4-Dichlorophenyl)-2-piperidin-1-yl-pentan-1-one
CID 11449834
2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-piperidin-1-yl)-ethanone
CID 14810949
1-(3,4-Dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride
CID 71727890
2-(3,4-Dichloro-phenyl)-1-(2-diethylaminomethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810954
(1R,9aR)-1-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride
CID 16719989
8-[2-(3,4-Dichlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 155522076
2-(3,4-Dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 12612284
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-one
CID 58954858

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one (CID 19823652) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one is CC(=O)C(N1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one?
The InChIKey is SPTFIMRHCCIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO/c1-13(22)17(21-10-3-2-4-11-21)18(8-5-9-18)14-6-7-15(19)16(20)12-14/h6-7,12,17H,2-5,8-11H2,1H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one has a molecular weight of 340.29 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 19823652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).