N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide

C21H25BrN2O — CID 14762575

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C21H25BrN2O/c22-20-9-5-4-8-19(20)21(25)23-12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyKSWJWAMENMYHDH-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide (PubChem CID 14762575) has the molecular formula C21H25BrN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide
PubChem CID14762575
Molecular FormulaC21H25BrN2O
Molecular Weight401.35 g/mol
Exact Mass400.12
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C21H25BrN2O/c22-20-9-5-4-8-19(20)21(25)23-12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyKSWJWAMENMYHDH-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

AR-M1000390
CID 9841259
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
Bromadoline
CID 54753
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[(adamantan-1-yl)methyl]-2-bromobenzamide
CID 7750121
N-Benzyl-2-bromo-N-methylbenzamide
CID 614171
n-Benzyl-4-bromobenzamide
CID 781117
N-benzyl-2-bromobenzamide
CID 687458
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
2-bromo-N-(2-phenylethyl)benzamide
CID 673840

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide (CID 14762575) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide is O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1Br.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide?
The InChIKey is KSWJWAMENMYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O/c22-20-9-5-4-8-19(20)21(25)23-12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide has a molecular weight of 401.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-bromobenzamide is sourced from PubChem (CID 14762575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).