1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide

C18H25BrN2O — CID 119558146

IUPAC1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C18H25BrN2O/c19-16-6-4-15(5-7-16)18(9-2-10-18)17(22)21-12-8-14-3-1-11-20-13-14/h4-7,14,20H,1-3,8-13H2,(H,21,22)
InChIKeyXXNTYJKWPWPZJL-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide

1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 119558146) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID119558146
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C18H25BrN2O/c19-16-6-4-15(5-7-16)18(9-2-10-18)17(22)21-12-8-14-3-1-11-20-13-14/h4-7,14,20H,1-3,8-13H2,(H,21,22)
InChIKeyXXNTYJKWPWPZJL-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide (CID 119558146) is 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide is O=C(NCCC1CCCNC1)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is XXNTYJKWPWPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c19-16-6-4-15(5-7-16)18(9-2-10-18)17(22)21-12-8-14-3-1-11-20-13-14/h4-7,14,20H,1-3,8-13H2,(H,21,22).
What are the key properties of 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119558146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).