N-(2,4-difluorophenyl)piperazine-1-carboxamide

C11H13F2N3O — CID 43288448

IUPACN-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H13F2N3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyHLFMAANNMCCSMF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.40
Rot. Bonds1

About N-(2,4-difluorophenyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 43288448) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID43288448
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H13F2N3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyHLFMAANNMCCSMF-UHFFFAOYSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,4-difluorophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
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
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)piperazine-1-carboxamide (CID 43288448) is N-(2,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is HLFMAANNMCCSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17).
What are the key properties of N-(2,4-difluorophenyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 43288448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).