[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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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).