N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide

C29H34FN3O2 — CID 58055745

IUPACN,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1
InChIInChI=1S/C29H34FN3O2/c1-4-31(5-2)29(34)28(22-11-7-6-8-12-22)33-19-17-32(18-20-33)26-16-15-23(21-25(26)30)24-13-9-10-14-27(24)35-3/h6-16,21,28H,4-5,17-20H2,1-3H3
InChIKeyYEVGQRODFOZWOD-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.23
Rot. Bonds8

About N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055745) has the molecular formula C29H34FN3O2 and a molecular weight of 475.61 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055745
Molecular FormulaC29H34FN3O2
Molecular Weight475.61 g/mol
Exact Mass475.26
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1
InChIInChI=1S/C29H34FN3O2/c1-4-31(5-2)29(34)28(22-11-7-6-8-12-22)33-19-17-32(18-20-33)26-16-15-23(21-25(26)30)24-13-9-10-14-27(24)35-3/h6-16,21,28H,4-5,17-20H2,1-3H3
InChIKeyYEVGQRODFOZWOD-UHFFFAOYSA-N
XLogP5.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(3,4-difluorophenyl)piperazin-1-yl)propan-1-one
CID 17955460
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 15121344
2-(2-Methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 783653
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl (2-methoxyphenyl)acetate
CID 4783124
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 18112685
N-benzyl-2-(2-methoxyphenyl)-N-(p-tolyl)acetamide
CID 18269413
[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 659991
1-phenyl-4-(9H-xanthen-9-ylcarbonyl)piperazine
CID 1220269
N-{1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}cyclohexanecarboxamide
CID 3243053
5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10574209

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055745) is N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is YEVGQRODFOZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O2/c1-4-31(5-2)29(34)28(22-11-7-6-8-12-22)33-19-17-32(18-20-33)26-16-15-23(21-25(26)30)24-13-9-10-14-27(24)35-3/h6-16,21,28H,4-5,17-20H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 475.61 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).