N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C16H16FN3O3 — CID 5177486

IUPACN-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16FN3O3/c17-12-3-1-4-13(11-12)18-16(22)20-8-6-19(7-9-20)15(21)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,18,22)
InChIKeyCEVQXWBTKYXNNS-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.41
Rot. Bonds2

About N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 5177486) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID5177486
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16FN3O3/c17-12-3-1-4-13(11-12)18-16(22)20-8-6-19(7-9-20)15(21)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,18,22)
InChIKeyCEVQXWBTKYXNNS-UHFFFAOYSA-N
XLogP2.41
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 5177486) is N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is CEVQXWBTKYXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-12-3-1-4-13(11-12)18-16(22)20-8-6-19(7-9-20)15(21)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,18,22).
What are the key properties of N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 5177486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).