4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide

C19H21F2N3O2 — CID 19357132

IUPAC4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(O)c(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)cc1C
InChIInChI=1S/C19H21F2N3O2/c1-12-7-17(18(25)8-13(12)2)22-19(26)24-5-3-23(4-6-24)16-10-14(20)9-15(21)11-16/h7-11,25H,3-6H2,1-2H3,(H,22,26)
InChIKeyUXTPIIBYBGXYTC-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.64
Rot. Bonds2

About 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide

4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 19357132) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID19357132
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(O)c(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)cc1C
InChIInChI=1S/C19H21F2N3O2/c1-12-7-17(18(25)8-13(12)2)22-19(26)24-5-3-23(4-6-24)16-10-14(20)9-15(21)11-16/h7-11,25H,3-6H2,1-2H3,(H,22,26)
InChIKeyUXTPIIBYBGXYTC-UHFFFAOYSA-N
XLogP3.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663055
N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 19357175
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
4-[3,5-bis(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 42705399
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide (CID 19357132) is 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(O)c(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)cc1C.
What is the InChIKey of 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is UXTPIIBYBGXYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12-7-17(18(25)8-13(12)2)22-19(26)24-5-3-23(4-6-24)16-10-14(20)9-15(21)11-16/h7-11,25H,3-6H2,1-2H3,(H,22,26).
What are the key properties of 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N-(2-hydroxy-4,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).