N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide

C15H20FN3O2 — CID 72872160

IUPACN-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)cc2F)CC1
InChIInChI=1S/C15H20FN3O2/c1-3-6-18-7-9-19(10-8-18)15(20)17-14-5-4-12(21-2)11-13(14)16/h3-5,11H,1,6-10H2,2H3,(H,17,20)
InChIKeyBBPNXFIORKXCIT-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.17
Rot. Bonds4

About N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide

N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 72872160) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID72872160
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)cc2F)CC1
InChIInChI=1S/C15H20FN3O2/c1-3-6-18-7-9-19(10-8-18)15(20)17-14-5-4-12(21-2)11-13(14)16/h3-5,11H,1,6-10H2,2H3,(H,17,20)
InChIKeyBBPNXFIORKXCIT-UHFFFAOYSA-N
XLogP2.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.17
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

N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126430817
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
4-[(4-ethylpiperazine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190369
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 72872160) is N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccc(OC)cc2F)CC1.
What is the InChIKey of N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is BBPNXFIORKXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-6-18-7-9-19(10-8-18)15(20)17-14-5-4-12(21-2)11-13(14)16/h3-5,11H,1,6-10H2,2H3,(H,17,20).
What are the key properties of N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 72872160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).