4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

C21H26FN3O2 — CID 113109129

IUPAC4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)25-13-11-24(12-14-25)10-9-17-4-6-18(22)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyLZVONFXVGKZTJM-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.53
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 113109129) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
PubChem CID113109129
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)25-13-11-24(12-14-25)10-9-17-4-6-18(22)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyLZVONFXVGKZTJM-UHFFFAOYSA-N
XLogP3.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104742
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
methyl 4-[[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109144
N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 42709715

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (CID 113109129) is 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is LZVONFXVGKZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)25-13-11-24(12-14-25)10-9-17-4-6-18(22)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).