4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide

C18H19F4N3O5 — CID 4983411

IUPAC4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19F4N3O5/c19-17(20)12-10-11(3-4-13(12)29-18(21,22)30-17)23-16(27)25-7-5-24(6-8-25)15(26)14-2-1-9-28-14/h3-4,10,14H,1-2,5-9H2,(H,23,27)
InChIKeyIXKYSABHMGEKIF-UHFFFAOYSA-N
MW433.36 g/mol
LogP2.55
Rot. Bonds2

About 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide

4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide (PubChem CID 4983411) has the molecular formula C18H19F4N3O5 and a molecular weight of 433.36 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide
PubChem CID4983411
Molecular FormulaC18H19F4N3O5
Molecular Weight433.36 g/mol
Exact Mass433.13
IUPAC Name4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19F4N3O5/c19-17(20)12-10-11(3-4-13(12)29-18(21,22)30-17)23-16(27)25-7-5-24(6-8-25)15(26)14-2-1-9-28-14/h3-4,10,14H,1-2,5-9H2,(H,23,27)
InChIKeyIXKYSABHMGEKIF-UHFFFAOYSA-N
XLogP2.55
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
CID 3261302
(6R)-6-(hydroxymethyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)-1,4-oxazepane-4-carboxamide
CID 97280869
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
4-[(2R)-oxolane-2-carbonyl]-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]piperazine-1-carboxamide
CID 96529164
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3867871
4-(oxolane-2-carbonyl)-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825512
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-(3,4-dichlorophenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 1333024

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide (CID 4983411) is 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide is O=C(Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide?
The InChIKey is IXKYSABHMGEKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O5/c19-17(20)12-10-11(3-4-13(12)29-18(21,22)30-17)23-16(27)25-7-5-24(6-8-25)15(26)14-2-1-9-28-14/h3-4,10,14H,1-2,5-9H2,(H,23,27).
What are the key properties of 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide?
4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide has a molecular weight of 433.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 4983411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).