1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine

C28H30N2O2S — CID 10095692

IUPAC1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
InChIInChI=1S/C28H30N2O2S/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27/h2-12,14,20-21,26H,13,15-19H2,1H3
InChIKeyFCNUZSYKUANYNY-UHFFFAOYSA-N
MW458.63 g/mol
LogP6.24
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine

1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine (PubChem CID 10095692) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine
PubChem CID10095692
Molecular FormulaC28H30N2O2S
Molecular Weight458.63 g/mol
Exact Mass458.20
IUPAC Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
InChIInChI=1S/C28H30N2O2S/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27/h2-12,14,20-21,26H,13,15-19H2,1H3
InChIKeyFCNUZSYKUANYNY-UHFFFAOYSA-N
XLogP6.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Naftopidil
CID 4418
Naftopidil, (R)-
CID 6603939
1-(2-Methoxy-phenyl)-4-[2-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylsulfanyl)-ethyl]-piperazine
CID 10409457
1-(2-Methoxyphenyl)-4-[3-(1-naphthyloxy)propyl]piperazine oxalate
CID 2924460
Naftopidil hydrochloride
CID 6603044
1-(Benzo[b]thiophene-3-yl)-3-[4-(2-methoxyphenyl)piperazino]-1-propanol
CID 9886269
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 10069586
1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10621014
1-(2-Methoxyphenyl)-4-(3-(thiophen-3-yl)-3-(4-(trifluoromethyl)phenoxy)propyl)piperazine
CID 10624420
1-(1-Benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11451022
1-(2-Methoxyphenyl)-4-(3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl)piperazine
CID 44356232
N-(Benzo[b]thiophen-2-ylmethyl)-4-(4-(2-methoxyphenyl)-piperazin-1-yl)-N-propylbutan-1-amine
CID 54584336

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine (CID 10095692) is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine is COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine?
The InChIKey is FCNUZSYKUANYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2S/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27/h2-12,14,20-21,26H,13,15-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine?
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine has a molecular weight of 458.63 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine is sourced from PubChem (CID 10095692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).