N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide

C23H27N3O3 — CID 108974600

IUPACN-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(24-18-20-9-5-17-29-20)23(10-11-23)22(28)26-15-13-25(14-16-26)12-4-8-19-6-2-1-3-7-19/h1-9,17H,10-16,18H2,(H,24,27)/b8-4+
InChIKeyZHJGQLCVLATEFR-XBXARRHUSA-N
MW393.49 g/mol
LogP2.53
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108974600) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108974600
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(24-18-20-9-5-17-29-20)23(10-11-23)22(28)26-15-13-25(14-16-26)12-4-8-19-6-2-1-3-7-19/h1-9,17H,10-16,18H2,(H,24,27)/b8-4+
InChIKeyZHJGQLCVLATEFR-XBXARRHUSA-N
XLogP2.53
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
N-[2-(furan-2-yl)ethyl]-N'-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide;hydroiodide
CID 111218338
(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 166264446
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-[[[2-(furan-2-yl)ethylamino]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053421
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108974600) is N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide is O=C(NCc1ccco1)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is ZHJGQLCVLATEFR-XBXARRHUSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(24-18-20-9-5-17-29-20)23(10-11-23)22(28)26-15-13-25(14-16-26)12-4-8-19-6-2-1-3-7-19/h1-9,17H,10-16,18H2,(H,24,27)/b8-4+.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108974600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).