2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C17H25N3O3S — CID 121161177

IUPAC2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCOc1nccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C17H25N3O3S/c1-22-17-18-9-6-15(19-17)23-13-7-10-20(11-8-13)16(21)12-24-14-4-2-3-5-14/h6,9,13-14H,2-5,7-8,10-12H2,1H3
InChIKeyKGLVCAGXFJUMBY-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.53
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 121161177) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
PubChem CID121161177
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCOc1nccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C17H25N3O3S/c1-22-17-18-9-6-15(19-17)23-13-7-10-20(11-8-13)16(21)12-24-14-4-2-3-5-14/h6,9,13-14H,2-5,7-8,10-12H2,1H3
InChIKeyKGLVCAGXFJUMBY-UHFFFAOYSA-N
XLogP2.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone 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-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
(4-butylcyclohexyl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161250

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 121161177) is 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is COc1nccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is KGLVCAGXFJUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-22-17-18-9-6-15(19-17)23-13-7-10-20(11-8-13)16(21)12-24-14-4-2-3-5-14/h6,9,13-14H,2-5,7-8,10-12H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 351.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121161177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).