3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

C19H28BrN2O+ — CID 7831409

IUPAC3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)/p+1
InChIKeyMNQUOYFFQQGFFH-UHFFFAOYSA-O
MW380.35 g/mol
LogP2.95
Rot. Bonds4

About 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (PubChem CID 7831409) has the molecular formula C19H28BrN2O+ and a molecular weight of 380.35 g/mol. Its IUPAC name is 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
PubChem CID7831409
Molecular FormulaC19H28BrN2O+
Molecular Weight380.35 g/mol
Exact Mass379.14
IUPAC Name3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)/p+1
InChIKeyMNQUOYFFQQGFFH-UHFFFAOYSA-O
XLogP2.95
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 2579925
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831623
2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 8001355
2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2077620
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
CID 146079134
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119565780
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (CID 7831409) is 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is MNQUOYFFQQGFFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)/p+1.
What are the key properties of 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 380.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 7831409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).