2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

C18H25N3O4 — CID 109131470

IUPAC2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c1-12(2)11-19-16(22)13-10-14(13)17(23)20-5-7-21(8-6-20)18(24)15-4-3-9-25-15/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,19,22)
InChIKeyMNEUFSDHOTXRLE-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 109131470) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID109131470
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c1-12(2)11-19-16(22)13-10-14(13)17(23)20-5-7-21(8-6-20)18(24)15-4-3-9-25-15/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,19,22)
InChIKeyMNEUFSDHOTXRLE-UHFFFAOYSA-N
XLogP0.97
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 109139132
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132957
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
(3R,4S)-4-(2,3-dimethoxyphenyl)-1-(furan-2-carbonyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93152152
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146
(1S,2S,3R,4S)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18557845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 109131470) is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)CNC(=O)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is MNEUFSDHOTXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)11-19-16(22)13-10-14(13)17(23)20-5-7-21(8-6-20)18(24)15-4-3-9-25-15/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).