N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide

C13H19N3O2 — CID 113103527

IUPACN-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-5-15-6-8-16(9-7-15)13(17)14-11-12-4-3-10-18-12/h2-4,10H,1,5-9,11H2,(H,14,17)
InChIKeyALPVORFUUYDSGU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.29
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide

N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103527) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103527
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-5-15-6-8-16(9-7-15)13(17)14-11-12-4-3-10-18-12/h2-4,10H,1,5-9,11H2,(H,14,17)
InChIKeyALPVORFUUYDSGU-UHFFFAOYSA-N
XLogP1.29
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 71783464
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 113103527) is N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is ALPVORFUUYDSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-5-15-6-8-16(9-7-15)13(17)14-11-12-4-3-10-18-12/h2-4,10H,1,5-9,11H2,(H,14,17).
What are the key properties of N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).