(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

C18H23N3O2S — CID 71800834

IUPAC(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-12-9-19-18(20)24-13-14-7-10-21(11-8-14)17(22)15-5-3-4-6-16(15)23-2/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3
InChIKeyGTLVJUYYKBXWGY-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.07
Rot. Bonds5

About (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (PubChem CID 71800834) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
PubChem CID71800834
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-12-9-19-18(20)24-13-14-7-10-21(11-8-14)17(22)15-5-3-4-6-16(15)23-2/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3
InChIKeyGTLVJUYYKBXWGY-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800839
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800888
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (CID 71800834) is (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(CSc2nccn2C)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The InChIKey is GTLVJUYYKBXWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-12-9-19-18(20)24-13-14-7-10-21(11-8-14)17(22)15-5-3-4-6-16(15)23-2/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).