1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one

C22H29N3O2S — CID 18738387

IUPAC1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
InChIInChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3
InChIKeyBTAVBIPIYWDCNO-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.59
Rot. Bonds6

About 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one

1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one (PubChem CID 18738387) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
PubChem CID18738387
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
InChIInChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3
InChIKeyBTAVBIPIYWDCNO-UHFFFAOYSA-N
XLogP3.59
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
CID 118713684
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541
1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
CID 1376848

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one (CID 18738387) is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one is COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1.
What is the InChIKey of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The InChIKey is BTAVBIPIYWDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3.
What are the key properties of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one has a molecular weight of 399.56 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 18738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).