[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C20H26N4O2S — CID 24791310

IUPAC[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C20H26N4O2S/c1-26-19-7-3-2-6-18(19)23-11-9-22(10-12-23)16-5-4-8-24(13-16)20(25)17-14-27-15-21-17/h2-3,6-7,14-16H,4-5,8-13H2,1H3
InChIKeyJWAMHIZLWHNYJS-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.58
Rot. Bonds4

About [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 24791310) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID24791310
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C20H26N4O2S/c1-26-19-7-3-2-6-18(19)23-11-9-22(10-12-23)16-5-4-8-24(13-16)20(25)17-14-27-15-21-17/h2-3,6-7,14-16H,4-5,8-13H2,1H3
InChIKeyJWAMHIZLWHNYJS-UHFFFAOYSA-N
XLogP2.58
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-piperidin-2-one
CID 10342554
1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816858
N-(2-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449647
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 42602909
Piperazine, 1-(2-methoxyphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride
CID 3021502
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-methyl-2-propyl-, monohydrochloride
CID 3039480
N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24790504
6-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155521675
5-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
CID 155537490
6-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155562463

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 24791310) is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is COc1ccccc1N1CCN(C2CCCN(C(=O)c3cscn3)C2)CC1.
What is the InChIKey of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is JWAMHIZLWHNYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-26-19-7-3-2-6-18(19)23-11-9-22(10-12-23)16-5-4-8-24(13-16)20(25)17-14-27-15-21-17/h2-3,6-7,14-16H,4-5,8-13H2,1H3.
What are the key properties of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 386.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24791310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).