N-(1-benzylpiperidin-4-yl)-4-bromobenzamide

C19H21BrN2O — CID 1103952

IUPACN-(1-benzylpiperidin-4-yl)-4-bromobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKeySTVCIQOCEIGHLR-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.84
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-bromobenzamide

N-(1-benzylpiperidin-4-yl)-4-bromobenzamide (PubChem CID 1103952) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-bromobenzamide
PubChem CID1103952
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-bromobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKeySTVCIQOCEIGHLR-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26681867
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N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
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N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
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N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
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N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
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N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromobenzamide (CID 1103952) is N-(1-benzylpiperidin-4-yl)-4-bromobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-bromobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-bromobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-bromobenzamide?
The InChIKey is STVCIQOCEIGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-bromobenzamide?
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide has a molecular weight of 373.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-bromobenzamide is sourced from PubChem (CID 1103952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).