4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide

C17H18BrN3O — CID 113079371

IUPAC4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C17H18BrN3O/c18-15-8-4-5-9-16(15)20-10-12-21(13-11-20)17(22)19-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,22)
InChIKeyWAWPKJKIHVDBMP-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.80
Rot. Bonds2

About 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide

4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 113079371) has the molecular formula C17H18BrN3O and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID113079371
Molecular FormulaC17H18BrN3O
Molecular Weight360.25 g/mol
Exact Mass359.06
IUPAC Name4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C17H18BrN3O/c18-15-8-4-5-9-16(15)20-10-12-21(13-11-20)17(22)19-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,22)
InChIKeyWAWPKJKIHVDBMP-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113079354
4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide
CID 110664161

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide (CID 113079371) is 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is WAWPKJKIHVDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-15-8-4-5-9-16(15)20-10-12-21(13-11-20)17(22)19-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,22).
What are the key properties of 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide?
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113079371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).