4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide

C19H21BrN4O2 — CID 112807670

IUPAC4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O2/c20-17-5-3-16(4-6-17)19(26)22-13-18(25)24-10-8-23(9-11-24)14-15-2-1-7-21-12-15/h1-7,12H,8-11,13-14H2,(H,22,26)
InChIKeyVLRZGAGPHOHZGK-UHFFFAOYSA-N
MW417.31 g/mol
LogP1.92
Rot. Bonds5

About 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide

4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 112807670) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
PubChem CID112807670
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O2/c20-17-5-3-16(4-6-17)19(26)22-13-18(25)24-10-8-23(9-11-24)14-15-2-1-7-21-12-15/h1-7,12H,8-11,13-14H2,(H,22,26)
InChIKeyVLRZGAGPHOHZGK-UHFFFAOYSA-N
XLogP1.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755
3-(3-bromophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134045003
5-bromo-N-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 112834519
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide (CID 112807670) is 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is VLRZGAGPHOHZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c20-17-5-3-16(4-6-17)19(26)22-13-18(25)24-10-8-23(9-11-24)14-15-2-1-7-21-12-15/h1-7,12H,8-11,13-14H2,(H,22,26).
What are the key properties of 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide?
4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 417.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 112807670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).