N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide

C12H20FN3O2 — CID 175406147

IUPACN-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NC(=O)C2CC2)CC1F
InChIInChI=1S/C12H20FN3O2/c1-2-5-15-6-7-16(8-10(15)13)12(18)14-11(17)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,17,18)
InChIKeyLEUJZTKELBXCTC-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.96
Rot. Bonds3

About N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide

N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide (PubChem CID 175406147) has the molecular formula C12H20FN3O2 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide
PubChem CID175406147
Molecular FormulaC12H20FN3O2
Molecular Weight257.31 g/mol
Exact Mass257.15
IUPAC NameN-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NC(=O)C2CC2)CC1F
InChIInChI=1S/C12H20FN3O2/c1-2-5-15-6-7-16(8-10(15)13)12(18)14-11(17)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,17,18)
InChIKeyLEUJZTKELBXCTC-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide
CID 71933420
5-Fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione
CID 126973047
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9328418
N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide
CID 90178348
(2-Aminopiperazin-1-yl)-cyclopropylmethanone
CID 141435578
[1-(Cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium
CID 174322432
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9328417
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 16298905
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 23904186
4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
CID 23935457
4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 23962489

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide (CID 175406147) is N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)NC(=O)C2CC2)CC1F.
What is the InChIKey of N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide?
The InChIKey is LEUJZTKELBXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2/c1-2-5-15-6-7-16(8-10(15)13)12(18)14-11(17)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,17,18).
What are the key properties of N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide?
N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide has a molecular weight of 257.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropanecarbonyl)-3-fluoro-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 175406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).