(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

C19H23NO2S — CID 53150687

IUPAC(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C19H23NO2S/c1-15-7-8-18(23-15)19(21)20-12-9-16(10-13-20)11-14-22-17-5-3-2-4-6-17/h2-8,16H,9-14H2,1H3
InChIKeyLLPFNDHRADGVKT-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.38
Rot. Bonds5

About (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150687) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
PubChem CID53150687
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C19H23NO2S/c1-15-7-8-18(23-15)19(21)20-12-9-16(10-13-20)11-14-22-17-5-3-2-4-6-17/h2-8,16H,9-14H2,1H3
InChIKeyLLPFNDHRADGVKT-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
4-[[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166600547

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (CID 53150687) is (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The InChIKey is LLPFNDHRADGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-7-8-18(23-15)19(21)20-12-9-16(10-13-20)11-14-22-17-5-3-2-4-6-17/h2-8,16H,9-14H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone has a molecular weight of 329.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).