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

C20H26N4O2S — CID 53161091

IUPAC[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3nc(C(=O)N4CCCCC4)cs3)CC2)c1
InChIInChI=1S/C20H26N4O2S/c1-26-17-7-5-6-16(14-17)22-10-12-24(13-11-22)20-21-18(15-27-20)19(25)23-8-3-2-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3
InChIKeyWRMYFZOYLGUKIL-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.10
Rot. Bonds4

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

[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53161091) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53161091
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3nc(C(=O)N4CCCCC4)cs3)CC2)c1
InChIInChI=1S/C20H26N4O2S/c1-26-17-7-5-6-16(14-17)22-10-12-24(13-11-22)20-21-18(15-27-20)19(25)23-8-3-2-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3
InChIKeyWRMYFZOYLGUKIL-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 53161091) is [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is COc1cccc(N2CCN(c3nc(C(=O)N4CCCCC4)cs3)CC2)c1.
What is the InChIKey of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is WRMYFZOYLGUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-26-17-7-5-6-16(14-17)22-10-12-24(13-11-22)20-21-18(15-27-20)19(25)23-8-3-2-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3.
What are the key properties of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 386.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53161091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).