[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H22N2O2S — CID 78809997

IUPAC[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-18(17-8-4-15-23-17)20-12-10-19(11-13-20)9-5-14-22-16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2
InChIKeyDLQAWTGOVLLOPQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.97
Rot. Bonds6

About [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 78809997) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID78809997
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-18(17-8-4-15-23-17)20-12-10-19(11-13-20)9-5-14-22-16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2
InChIKeyDLQAWTGOVLLOPQ-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 90643655
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
[4-[2-(4-methanimidoylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 147765140
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 78809997) is [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is DLQAWTGOVLLOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-18(17-8-4-15-23-17)20-12-10-19(11-13-20)9-5-14-22-16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2.
What are the key properties of [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 330.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 78809997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).