N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide

C16H21BrN4O2 — CID 86986351

IUPACN-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2Br)CC1)NC1CC1
InChIInChI=1S/C16H21BrN4O2/c17-13-3-1-2-4-14(13)19-16(23)21-9-7-20(8-10-21)11-15(22)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,22)(H,19,23)
InChIKeyPFJWPDQNXQSEIG-UHFFFAOYSA-N
MW381.27 g/mol
LogP1.88
Rot. Bonds4

About N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide

N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 86986351) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID86986351
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC NameN-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2Br)CC1)NC1CC1
InChIInChI=1S/C16H21BrN4O2/c17-13-3-1-2-4-14(13)19-16(23)21-9-7-20(8-10-21)11-15(22)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,22)(H,19,23)
InChIKeyPFJWPDQNXQSEIG-UHFFFAOYSA-N
XLogP1.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide 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

2-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735509
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
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-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide (CID 86986351) is N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2Br)CC1)NC1CC1.
What is the InChIKey of N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is PFJWPDQNXQSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c17-13-3-1-2-4-14(13)19-16(23)21-9-7-20(8-10-21)11-15(22)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,22)(H,19,23).
What are the key properties of N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide?
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86986351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).