4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide

C19H24F3N5O4 — CID 86879933

IUPAC4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCCC(O)(c3nccn3C)C(F)(F)F)CC2)o1
InChIInChI=1S/C19H24F3N5O4/c1-13-3-4-14(31-13)15(28)26-9-11-27(12-10-26)17(29)24-6-5-18(30,19(20,21)22)16-23-7-8-25(16)2/h3-4,7-8,30H,5-6,9-12H2,1-2H3,(H,24,29)
InChIKeyCMELEJZJIWGPCW-UHFFFAOYSA-N
MW443.43 g/mol
LogP1.63
Rot. Bonds5

About 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide (PubChem CID 86879933) has the molecular formula C19H24F3N5O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
PubChem CID86879933
Molecular FormulaC19H24F3N5O4
Molecular Weight443.43 g/mol
Exact Mass443.18
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCCC(O)(c3nccn3C)C(F)(F)F)CC2)o1
InChIInChI=1S/C19H24F3N5O4/c1-13-3-4-14(31-13)15(28)26-9-11-27(12-10-26)17(29)24-6-5-18(30,19(20,21)22)16-23-7-8-25(16)2/h3-4,7-8,30H,5-6,9-12H2,1-2H3,(H,24,29)
InChIKeyCMELEJZJIWGPCW-UHFFFAOYSA-N
XLogP1.63
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9505709
N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide
CID 2885920
4-[(5-Chlorofuran-2-yl)methylamino]-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol
CID 72024220
N-(furan-2-ylmethyl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53566663
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 53572939
N-(1-imidazol-1-ylpropan-2-yl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 53613806
1-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-N,N-dimethylprolinamide
CID 56880013
N-{1-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-3-piperidinyl}-N,N',N'-trimethyl-1,2-ethanediamine
CID 56891462
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[5-(methoxymethyl)-2-furoyl]piperidine
CID 70757485
1,1,1-Trifluoro-4-(furan-2-ylmethylamino)-2-(1-methylimidazol-2-yl)butan-2-ol
CID 71879712
1,1,1-Trifluoro-4-[(5-methylfuran-2-yl)methylamino]-2-(1-methylimidazol-2-yl)butan-2-ol
CID 72024219
5-(acetamidomethyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)furan-2-carboxamide
CID 72147987

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide (CID 86879933) is 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCCC(O)(c3nccn3C)C(F)(F)F)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The InChIKey is CMELEJZJIWGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O4/c1-13-3-4-14(31-13)15(28)26-9-11-27(12-10-26)17(29)24-6-5-18(30,19(20,21)22)16-23-7-8-25(16)2/h3-4,7-8,30H,5-6,9-12H2,1-2H3,(H,24,29).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).