1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C15H26N4OS — CID 855207

IUPAC1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-4-8-19-14(12(2)3)16-17-15(19)21-11-13(20)18-9-6-5-7-10-18/h12H,4-11H2,1-3H3
InChIKeyZQEGICKHEVATFQ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.92
Rot. Bonds6

About 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 855207) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID855207
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-4-8-19-14(12(2)3)16-17-15(19)21-11-13(20)18-9-6-5-7-10-18/h12H,4-11H2,1-3H3
InChIKeyZQEGICKHEVATFQ-UHFFFAOYSA-N
XLogP2.92
TPSA51.02 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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 855207) is 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is CCCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C.
What is the InChIKey of 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is ZQEGICKHEVATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-8-19-14(12(2)3)16-17-15(19)21-11-13(20)18-9-6-5-7-10-18/h12H,4-11H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 310.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 855207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).