N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C17H19FN4O3 — CID 78839934

IUPACN-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H19FN4O3/c18-13-3-4-14(12(10-13)11-19)20-17(24)22-7-5-21(6-8-22)16(23)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9H2,(H,20,24)
InChIKeyATRLXHHBONZUIR-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.55
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 78839934) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID78839934
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H19FN4O3/c18-13-3-4-14(12(10-13)11-19)20-17(24)22-7-5-21(6-8-22)16(23)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9H2,(H,20,24)
InChIKeyATRLXHHBONZUIR-UHFFFAOYSA-N
XLogP1.55
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
1-[(2-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82015860
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
N-(2-cyano-4-fluorophenyl)-1,4-dioxane-2-carboxamide
CID 79954692
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
N-(2-cyano-4-fluorophenyl)-4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepane-1-carboxamide
CID 78894118
N-(3,5-difluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 2986376

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 78839934) is N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is ATRLXHHBONZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-13-3-4-14(12(10-13)11-19)20-17(24)22-7-5-21(6-8-22)16(23)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9H2,(H,20,24).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 78839934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).