N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C16H23N3O3 — CID 108914854

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-12(2)13(3)11-17-16(21)19-8-6-18(7-9-19)15(20)14-5-4-10-22-14/h4-5,10-12H,6-9H2,1-3H3,(H,17,21)/b13-11+
InChIKeyBFDLKCTUHOWKNM-ACCUITESSA-N
MW305.38 g/mol
LogP2.31
Rot. Bonds3

About N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108914854) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108914854
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-12(2)13(3)11-17-16(21)19-8-6-18(7-9-19)15(20)14-5-4-10-22-14/h4-5,10-12H,6-9H2,1-3H3,(H,17,21)/b13-11+
InChIKeyBFDLKCTUHOWKNM-ACCUITESSA-N
XLogP2.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
4-(furan-2-carbonyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905984
N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108906730
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide
CID 136522058
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108914854) is N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is BFDLKCTUHOWKNM-ACCUITESSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)13(3)11-17-16(21)19-8-6-18(7-9-19)15(20)14-5-4-10-22-14/h4-5,10-12H,6-9H2,1-3H3,(H,17,21)/b13-11+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.31, 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-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108914854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).