1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one

C18H29N5O2S — CID 31015603

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3snnc3C)CC2)CC1
InChIInChI=1S/C18H29N5O2S/c1-3-21-10-12-22(13-11-21)16(24)5-4-15-6-8-23(9-7-15)18(25)17-14(2)19-20-26-17/h15H,3-13H2,1-2H3
InChIKeyOGHSGRUENBGIND-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one (PubChem CID 31015603) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one
PubChem CID31015603
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3snnc3C)CC2)CC1
InChIInChI=1S/C18H29N5O2S/c1-3-21-10-12-22(13-11-21)16(24)5-4-15-6-8-23(9-7-15)18(25)17-14(2)19-20-26-17/h15H,3-13H2,1-2H3
InChIKeyOGHSGRUENBGIND-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one (CID 31015603) is 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)c3snnc3C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one?
The InChIKey is OGHSGRUENBGIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-3-21-10-12-22(13-11-21)16(24)5-4-15-6-8-23(9-7-15)18(25)17-14(2)19-20-26-17/h15H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one has a molecular weight of 379.53 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 31015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).