N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide

C16H22BrN3O — CID 17185073

IUPACN-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22BrN3O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H,18,21)
InChIKeyGYDWQPCYNOADKE-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.54
Rot. Bonds2

About N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide

N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 17185073) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID17185073
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22BrN3O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H,18,21)
InChIKeyGYDWQPCYNOADKE-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide (CID 17185073) is N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is GYDWQPCYNOADKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H,18,21).
What are the key properties of N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide?
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 17185073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).