4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

C21H26FN3O3 — CID 113109057

IUPAC4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C21H26FN3O3/c1-27-17-7-8-19(20(15-17)28-2)24-11-13-25(14-12-24)21(26)23-10-9-16-5-3-4-6-18(16)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyDWHGMHJDGKPAGX-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.92
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109057) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109057
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C21H26FN3O3/c1-27-17-7-8-19(20(15-17)28-2)24-11-13-25(14-12-24)21(26)23-10-9-16-5-3-4-6-18(16)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyDWHGMHJDGKPAGX-UHFFFAOYSA-N
XLogP2.92
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
4-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108600
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113109057) is 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is DWHGMHJDGKPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-17-7-8-19(20(15-17)28-2)24-11-13-25(14-12-24)21(26)23-10-9-16-5-3-4-6-18(16)22/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).