N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H25N3O3 — CID 108914108

IUPACN-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-14(15-5-2-3-6-15)13-19-18(23)21-10-8-20(9-11-21)17(22)16-7-4-12-24-16/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,23)/b14-13+
InChIKeyWQHUOUFWRPMACE-BUHFOSPRSA-N
MW331.42 g/mol
LogP2.84
Rot. Bonds3

About N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108914108) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108914108
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-14(15-5-2-3-6-15)13-19-18(23)21-10-8-20(9-11-21)17(22)16-7-4-12-24-16/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,23)/b14-13+
InChIKeyWQHUOUFWRPMACE-BUHFOSPRSA-N
XLogP2.84
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[(E)-2-cyclopentylprop-1-enyl]-4-methylpiperidine-1-carboxamide
CID 108913842
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
CID 23675499
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 108990325

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108914108) is N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCC1.
What is the InChIKey of N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is WQHUOUFWRPMACE-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(15-5-2-3-6-15)13-19-18(23)21-10-8-20(9-11-21)17(22)16-7-4-12-24-16/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,23)/b14-13+.
What are the key properties of N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108914108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).