N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide

C17H21F2N3O2 — CID 110812430

IUPACN-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H21F2N3O2/c18-12-5-6-15(19)14(11-12)16(23)21-7-9-22(10-8-21)17(24)20-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,20,24)
InChIKeyYKEDHELCTMIYJN-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.37
Rot. Bonds2

About N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide

N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide (PubChem CID 110812430) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
PubChem CID110812430
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC NameN-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H21F2N3O2/c18-12-5-6-15(19)14(11-12)16(23)21-7-9-22(10-8-21)17(24)20-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,20,24)
InChIKeyYKEDHELCTMIYJN-UHFFFAOYSA-N
XLogP2.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888
4-(2,5-difluorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813489
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-cyclopentyl-7-(2,5-difluorophenyl)-1,4-thiazepane-4-carboxamide
CID 90631925
N-(4-aminophenyl)-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 91022778
N-cyclohexyl-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42666402
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
4-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55828074

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide (CID 110812430) is N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is YKEDHELCTMIYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-12-5-6-15(19)14(11-12)16(23)21-7-9-22(10-8-21)17(24)20-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,20,24).
What are the key properties of N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).