[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C19H26Cl2N2O — CID 119645165

IUPAC[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1
InChIInChI=1S/C19H26Cl2N2O/c1-2-22-13-14-6-10-23(11-7-14)18(24)19(8-3-9-19)15-4-5-16(20)17(21)12-15/h4-5,12,14,22H,2-3,6-11,13H2,1H3
InChIKeyZHHNPVFHTGQGQQ-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.26
Rot. Bonds5

About [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645165) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645165
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1
InChIInChI=1S/C19H26Cl2N2O/c1-2-22-13-14-6-10-23(11-7-14)18(24)19(8-3-9-19)15-4-5-16(20)17(21)12-15/h4-5,12,14,22H,2-3,6-11,13H2,1H3
InChIKeyZHHNPVFHTGQGQQ-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645165) is [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ZHHNPVFHTGQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c1-2-22-13-14-6-10-23(11-7-14)18(24)19(8-3-9-19)15-4-5-16(20)17(21)12-15/h4-5,12,14,22H,2-3,6-11,13H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 369.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).