4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide

C14H17F2N3O — CID 113103755

IUPAC4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O/c1-2-6-17-14(20)19-9-7-18(8-10-19)13-11(15)4-3-5-12(13)16/h2-5H,1,6-10H2,(H,17,20)
InChIKeySRRIBBITPFABMA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.98
Rot. Bonds3

About 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide

4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103755) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103755
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O/c1-2-6-17-14(20)19-9-7-18(8-10-19)13-11(15)4-3-5-12(13)16/h2-5H,1,6-10H2,(H,17,20)
InChIKeySRRIBBITPFABMA-UHFFFAOYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113111009
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103718
4-(3-bromo-4-methylphenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103702

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide (CID 113103755) is 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is SRRIBBITPFABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-6-17-14(20)19-9-7-18(8-10-19)13-11(15)4-3-5-12(13)16/h2-5H,1,6-10H2,(H,17,20).
What are the key properties of 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).