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

C19H21N3O5 — CID 108974601

IUPAC1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C19H21N3O5/c23-16(15-4-2-12-27-15)21-7-9-22(10-8-21)18(25)19(5-6-19)17(24)20-13-14-3-1-11-26-14/h1-4,11-12H,5-10,13H2,(H,20,24)
InChIKeyIYYPXXCJYSPXAU-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.25
Rot. Bonds5

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

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 108974601) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID108974601
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C19H21N3O5/c23-16(15-4-2-12-27-15)21-7-9-22(10-8-21)18(25)19(5-6-19)17(24)20-13-14-3-1-11-26-14/h1-4,11-12H,5-10,13H2,(H,20,24)
InChIKeyIYYPXXCJYSPXAU-UHFFFAOYSA-N
XLogP1.25
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108973773
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974600
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxopropanamide
CID 108961363
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
CID 46328246

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (CID 108974601) is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(c1ccco1)N1CCN(C(=O)C2(C(=O)NCc3ccco3)CC2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is IYYPXXCJYSPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-16(15-4-2-12-27-15)21-7-9-22(10-8-21)18(25)19(5-6-19)17(24)20-13-14-3-1-11-26-14/h1-4,11-12H,5-10,13H2,(H,20,24).
What are the key properties of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).