3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide

C15H19BrN2O — CID 60730541

IUPAC3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-12-3-1-2-11(10-12)15(19)17-13-6-8-18(9-7-13)14-4-5-14/h1-3,10,13-14H,4-9H2,(H,17,19)
InChIKeyZYLZJPQWKSZAJU-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.81
Rot. Bonds3

About 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide

3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide (PubChem CID 60730541) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
PubChem CID60730541
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-12-3-1-2-11(10-12)15(19)17-13-6-8-18(9-7-13)14-4-5-14/h1-3,10,13-14H,4-9H2,(H,17,19)
InChIKeyZYLZJPQWKSZAJU-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
3-bromo-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzamide
CID 108550869
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide (CID 60730541) is 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide is O=C(NC1CCN(C2CC2)CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The InChIKey is ZYLZJPQWKSZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-3-1-2-11(10-12)15(19)17-13-6-8-18(9-7-13)14-4-5-14/h1-3,10,13-14H,4-9H2,(H,17,19).
What are the key properties of 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide has a molecular weight of 323.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide is sourced from PubChem (CID 60730541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).