N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C12H14BrN3O2 — CID 141012271

IUPACN-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O2/c1-8-11(17)14-5-6-16(8)12(18)15-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNBZKHIGPOVGSQV-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.80
Rot. Bonds1

About N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 141012271) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID141012271
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC NameN-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O2/c1-8-11(17)14-5-6-16(8)12(18)15-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNBZKHIGPOVGSQV-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
CID 95773132
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95147672
(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 95979462
1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781629
(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
N-(3-bromophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
CID 139526446
N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596455
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 141012271) is N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is CC1C(=O)NCCN1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is NBZKHIGPOVGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-11(17)14-5-6-16(8)12(18)15-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 141012271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).