[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone

C18H26N2O2S — CID 165435270

IUPAC[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCC(C(=O)N3CCSCC3)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-22-17-4-2-3-15(13-17)14-19-7-5-16(6-8-19)18(21)20-9-11-23-12-10-20/h2-4,13,16H,5-12,14H2,1H3
InChIKeyLKYYNQYZZVBKDR-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.48
Rot. Bonds4

About [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 165435270) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID165435270
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCC(C(=O)N3CCSCC3)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-22-17-4-2-3-15(13-17)14-19-7-5-16(6-8-19)18(21)20-9-11-23-12-10-20/h2-4,13,16H,5-12,14H2,1H3
InChIKeyLKYYNQYZZVBKDR-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
CID 70946485
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 165422363
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151325
2-[2-(3-methoxyphenyl)ethyl]-4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 118755186
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903661
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 165435270) is [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is COc1cccc(CN2CCC(C(=O)N3CCSCC3)CC2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is LKYYNQYZZVBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-22-17-4-2-3-15(13-17)14-19-7-5-16(6-8-19)18(21)20-9-11-23-12-10-20/h2-4,13,16H,5-12,14H2,1H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 334.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165435270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).