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

C17H17F2N3O2 — CID 27869266

IUPACN-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H17F2N3O2/c18-12-5-6-14(13(19)11-12)20-17(24)22-9-7-21(8-10-22)15-3-1-2-4-16(15)23/h1-6,11,23H,7-10H2,(H,20,24)
InChIKeyDTFIAAVSUJWUFU-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.02
Rot. Bonds2

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

N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 27869266) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID27869266
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H17F2N3O2/c18-12-5-6-14(13(19)11-12)20-17(24)22-9-7-21(8-10-22)15-3-1-2-4-16(15)23/h1-6,11,23H,7-10H2,(H,20,24)
InChIKeyDTFIAAVSUJWUFU-UHFFFAOYSA-N
XLogP3.02
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
methyl 2-[[4-(2,4-difluorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 113114335
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727
(2S)-N-(2,4-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432656
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
4-[3,5-bis(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 42705399
N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1329053
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 27869266) is N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is DTFIAAVSUJWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-12-5-6-14(13(19)11-12)20-17(24)22-9-7-21(8-10-22)15-3-1-2-4-16(15)23/h1-6,11,23H,7-10H2,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27869266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).