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

C14H18BrN3O — CID 113103489

IUPACN-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-3-1-2-4-13(12)16-14(19)18-9-7-17(8-10-18)11-5-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyIEVYPHCIUKJERV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.76
Rot. Bonds2

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

N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide (PubChem CID 113103489) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
PubChem CID113103489
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-3-1-2-4-13(12)16-14(19)18-9-7-17(8-10-18)11-5-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyIEVYPHCIUKJERV-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
4-cyclopentyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperazine-1-carboxamide
CID 112825895
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
CID 67598581
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 3744808
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide (CID 113103489) is N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide is O=C(Nc1ccccc1Br)N1CCN(C2CC2)CC1.
What is the InChIKey of N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide?
The InChIKey is IEVYPHCIUKJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-12-3-1-2-4-13(12)16-14(19)18-9-7-17(8-10-18)11-5-6-11/h1-4,11H,5-10H2,(H,16,19).
What are the key properties of N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide?
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 113103489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).