4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C19H26BrN3O2 — CID 50779320

IUPAC4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1ccc(Br)cc1)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H26BrN3O2/c20-16-7-5-15(6-8-16)19(25)23(17-3-1-2-4-17)12-9-18(24)22-13-10-21-11-14-22/h5-8,17,21H,1-4,9-14H2
InChIKeyFYMZTYWAOIUNFO-UHFFFAOYSA-N
MW408.34 g/mol
LogP2.66
Rot. Bonds5

About 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779320) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779320
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC Name4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1ccc(Br)cc1)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H26BrN3O2/c20-16-7-5-15(6-8-16)19(25)23(17-3-1-2-4-17)12-9-18(24)22-13-10-21-11-14-22/h5-8,17,21H,1-4,9-14H2
InChIKeyFYMZTYWAOIUNFO-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
4-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92723683
4-bromo-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057932
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779320) is 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is O=C(CCN(C(=O)c1ccc(Br)cc1)C1CCCC1)N1CCNCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is FYMZTYWAOIUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O2/c20-16-7-5-15(6-8-16)19(25)23(17-3-1-2-4-17)12-9-18(24)22-13-10-21-11-14-22/h5-8,17,21H,1-4,9-14H2.
What are the key properties of 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 408.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).