N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

C19H22FN3O2 — CID 113113781

IUPACN-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-2-25-18-8-6-16(7-9-18)21-19(24)23-12-10-22(11-13-23)17-5-3-4-15(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeySGIQBXLTHANUKB-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.58
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113113781) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113113781
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-2-25-18-8-6-16(7-9-18)21-19(24)23-12-10-22(11-13-23)17-5-3-4-15(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeySGIQBXLTHANUKB-UHFFFAOYSA-N
XLogP3.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 136559164
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
N-(4-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8017270
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (CID 113113781) is N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SGIQBXLTHANUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-25-18-8-6-16(7-9-18)21-19(24)23-12-10-22(11-13-23)17-5-3-4-15(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).