(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C18H21N3O2S — CID 90558763

IUPAC(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H21N3O2S/c1-2-24-16-7-4-3-6-15(16)17(22)21-12-8-14(9-13-21)23-18-19-10-5-11-20-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyOOHAFJQJTAMGMD-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.27
Rot. Bonds5

About (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558763) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558763
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H21N3O2S/c1-2-24-16-7-4-3-6-15(16)17(22)21-12-8-14(9-13-21)23-18-19-10-5-11-20-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyOOHAFJQJTAMGMD-UHFFFAOYSA-N
XLogP3.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
CID 131702264
(2-ethylsulfanylphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178535
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
(2-ethylsulfanylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250908
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
(2-ethylsulfanylphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786986
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558763) is (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CCSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is OOHAFJQJTAMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-24-16-7-4-3-6-15(16)17(22)21-12-8-14(9-13-21)23-18-19-10-5-11-20-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3.
What are the key properties of (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 343.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).