1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide

C17H22Cl2N2O — CID 120555393

IUPAC1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H22Cl2N2O/c1-11-10-20-8-5-15(11)21-16(22)17(6-2-7-17)12-3-4-13(18)14(19)9-12/h3-4,9,11,15,20H,2,5-8,10H2,1H3,(H,21,22)
InChIKeyDJNONUXDXFYNDM-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.53
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide

1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 120555393) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID120555393
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H22Cl2N2O/c1-11-10-20-8-5-15(11)21-16(22)17(6-2-7-17)12-3-4-13(18)14(19)9-12/h3-4,9,11,15,20H,2,5-8,10H2,1H3,(H,21,22)
InChIKeyDJNONUXDXFYNDM-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 120555393) is 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide is CC1CNCCC1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is DJNONUXDXFYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c1-11-10-20-8-5-15(11)21-16(22)17(6-2-7-17)12-3-4-13(18)14(19)9-12/h3-4,9,11,15,20H,2,5-8,10H2,1H3,(H,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120555393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).