[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H27N3O2S — CID 11544608

IUPAC[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-14(2)19-3-5-20(6-4-19)17(21)15-11-16(23-13-15)12-18-7-9-22-10-8-18/h11,13-14H,3-10,12H2,1-2H3
InChIKeyPUEMTESDRSZFHW-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.75
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11544608) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11544608
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-14(2)19-3-5-20(6-4-19)17(21)15-11-16(23-13-15)12-18-7-9-22-10-8-18/h11,13-14H,3-10,12H2,1-2H3
InChIKeyPUEMTESDRSZFHW-UHFFFAOYSA-N
XLogP1.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11544608) is [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)c2)CC1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PUEMTESDRSZFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14(2)19-3-5-20(6-4-19)17(21)15-11-16(23-13-15)12-18-7-9-22-10-8-18/h11,13-14H,3-10,12H2,1-2H3.
What are the key properties of [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.49 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11544608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).