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

C14H17F2N3O — CID 113103626

IUPACN-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2N3O/c1-2-5-18-6-8-19(9-7-18)14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10H,1,5-9H2,(H,17,20)
InChIKeyAIHMZGVBZVYPTD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.30
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103626) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103626
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2N3O/c1-2-5-18-6-8-19(9-7-18)14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10H,1,5-9H2,(H,17,20)
InChIKeyAIHMZGVBZVYPTD-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 72872160
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 113103626) is N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is AIHMZGVBZVYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-5-18-6-8-19(9-7-18)14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10H,1,5-9H2,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).