[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone

C18H21NO2S — CID 53150724

IUPAC[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-18(17-7-4-14-22-17)19-11-8-15(9-12-19)10-13-21-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2
InChIKeyBUGSMYWKPYZMQM-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.07
Rot. Bonds5

About [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 53150724) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID53150724
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-18(17-7-4-14-22-17)19-11-8-15(9-12-19)10-13-21-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2
InChIKeyBUGSMYWKPYZMQM-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 78809997
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110411541
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 53150724) is [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is BUGSMYWKPYZMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-18(17-7-4-14-22-17)19-11-8-15(9-12-19)10-13-21-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2.
What are the key properties of [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 315.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 53150724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).