N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C19H26FN3O2 — CID 50779421

IUPACN-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1cccc(F)c1)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H26FN3O2/c20-16-5-3-4-15(14-16)19(25)23(17-6-1-2-7-17)11-8-18(24)22-12-9-21-10-13-22/h3-5,14,17,21H,1-2,6-13H2
InChIKeyKOYOXHZELMDIFE-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.03
Rot. Bonds5

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

N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779421) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779421
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1cccc(F)c1)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H26FN3O2/c20-16-5-3-4-15(14-16)19(25)23(17-6-1-2-7-17)11-8-18(24)22-12-9-21-10-13-22/h3-5,14,17,21H,1-2,6-13H2
InChIKeyKOYOXHZELMDIFE-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.03
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
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981560
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
CID 50779377
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779421) is N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is O=C(CCN(C(=O)c1cccc(F)c1)C1CCCC1)N1CCNCC1.
What is the InChIKey of N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is KOYOXHZELMDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-5-3-4-15(14-16)19(25)23(17-6-1-2-7-17)11-8-18(24)22-12-9-21-10-13-22/h3-5,14,17,21H,1-2,6-13H2.
What are the key properties of N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 347.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).