N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H18ClN3O3 — CID 108906730

IUPACN-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(N/C=C/c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18ClN3O3/c19-15-4-1-3-14(13-15)6-7-20-18(24)22-10-8-21(9-11-22)17(23)16-5-2-12-25-16/h1-7,12-13H,8-11H2,(H,20,24)/b7-6+
InChIKeyBOEWKQFNKFZCOS-VOTSOKGWSA-N
MW359.81 g/mol
LogP3.07
Rot. Bonds3

About N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108906730) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108906730
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(N/C=C/c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18ClN3O3/c19-15-4-1-3-14(13-15)6-7-20-18(24)22-10-8-21(9-11-22)17(23)16-5-2-12-25-16/h1-7,12-13H,8-11H2,(H,20,24)/b7-6+
InChIKeyBOEWKQFNKFZCOS-VOTSOKGWSA-N
XLogP3.07
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-carbonyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905984
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908348
3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1088826
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108906730) is N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(N/C=C/c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is BOEWKQFNKFZCOS-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-15-4-1-3-14(13-15)6-7-20-18(24)22-10-8-21(9-11-22)17(23)16-5-2-12-25-16/h1-7,12-13H,8-11H2,(H,20,24)/b7-6+.
What are the key properties of N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).