1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide

C17H21N3O4 — CID 108970845

IUPAC1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C17H21N3O4/c1-2-7-18-15(22)17(5-6-17)16(23)20-10-8-19(9-11-20)14(21)13-4-3-12-24-13/h2-4,12H,1,5-11H2,(H,18,22)
InChIKeyLSJFMFBYDSQPOD-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.65
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 108970845) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID108970845
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C17H21N3O4/c1-2-7-18-15(22)17(5-6-17)16(23)20-10-8-19(9-11-20)14(21)13-4-3-12-24-13/h2-4,12H,1,5-11H2,(H,18,22)
InChIKeyLSJFMFBYDSQPOD-UHFFFAOYSA-N
XLogP0.65
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
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
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970865
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111166625
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
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-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide (CID 108970845) is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is LSJFMFBYDSQPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-7-18-15(22)17(5-6-17)16(23)20-10-8-19(9-11-20)14(21)13-4-3-12-24-13/h2-4,12H,1,5-11H2,(H,18,22).
What are the key properties of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).