4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide

C27H31N3O2 — CID 167167795

IUPAC4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
SMILESCCOc1cccc(-c2ccc(C(C)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)c1
InChIInChI=1S/C27H31N3O2/c1-3-32-26-6-4-5-24(19-26)22-9-7-21(8-10-22)20(2)29-15-17-30(18-16-29)25-13-11-23(12-14-25)27(28)31/h4-14,19-20H,3,15-18H2,1-2H3,(H2,28,31)
InChIKeyMAQYPLSGULVNQX-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.73
Rot. Bonds7

About 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide

4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide (PubChem CID 167167795) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
PubChem CID167167795
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
SMILESCCOc1cccc(-c2ccc(C(C)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)c1
InChIInChI=1S/C27H31N3O2/c1-3-32-26-6-4-5-24(19-26)22-9-7-21(8-10-22)20(2)29-15-17-30(18-16-29)25-13-11-23(12-14-25)27(28)31/h4-14,19-20H,3,15-18H2,1-2H3,(H2,28,31)
InChIKeyMAQYPLSGULVNQX-UHFFFAOYSA-N
XLogP4.73
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
CID 169271007
4-[4-[1-[4-(3-ethoxyphenyl)-2-fluorophenyl]ethyl]piperazin-1-yl]-N-(3,3,3-trifluoropropylsulfonyl)benzamide
CID 169273123
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741719
4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
CID 86969635
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
1-[4-[4-[[2-(3-ethoxyphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone
CID 171442940
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262
4-[4-[[4-(3-ethoxyphenyl)-2-methoxyphenyl]methyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169271825
N-(1-adamantylmethylsulfonyl)-4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
CID 169273113
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide (CID 167167795) is 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide is CCOc1cccc(-c2ccc(C(C)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)c1.
What is the InChIKey of 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The InChIKey is MAQYPLSGULVNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-3-32-26-6-4-5-24(19-26)22-9-7-21(8-10-22)20(2)29-15-17-30(18-16-29)25-13-11-23(12-14-25)27(28)31/h4-14,19-20H,3,15-18H2,1-2H3,(H2,28,31).
What are the key properties of 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide?
4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 167167795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).