3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one

C15H26N4OS — CID 70759881

IUPAC3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1snnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-5-6-7-12-15(20)18(4)8-9-19(12)10-13-14(11(2)3)16-17-21-13/h11-12H,5-10H2,1-4H3
InChIKeyCRSZTPLZFRLJHL-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.49
Rot. Bonds6

About 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one

3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 70759881) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one
PubChem CID70759881
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1snnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-5-6-7-12-15(20)18(4)8-9-19(12)10-13-14(11(2)3)16-17-21-13/h11-12H,5-10H2,1-4H3
InChIKeyCRSZTPLZFRLJHL-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-isopropyl-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72863721
1-(cyclopentylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72914921
(2S)-1-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 97873859
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]acetamide
CID 50953557
1-{1-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]piperidin-4-YL}pyrrolidin-2-one
CID 56862593
1-Butyl-4-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazin-2-one
CID 56872045
2-[3-(Dimethylamino)pyrrolidin-1-YL]-N-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]acetamide
CID 91831205
(3,5-Dimethylpiperidin-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796017
(3-Ethylpiperidin-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45816457
4-ethyl-N-[2-(3-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45823952
(4-Ethylthiadiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 45846590
2-azepan-1-yl-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]acetamide
CID 50975374

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one (CID 70759881) is 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1Cc1snnc1C(C)C.
What is the InChIKey of 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is CRSZTPLZFRLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-6-7-12-15(20)18(4)8-9-19(12)10-13-14(11(2)3)16-17-21-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one?
3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 310.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 70759881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).