[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C15H25N5OS — CID 3231965

IUPAC[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1c(SC)nnc1C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H25N5OS/c1-3-20-13(16-17-14(20)22-2)12-6-10-19(11-7-12)15(21)18-8-4-5-9-18/h12H,3-11H2,1-2H3
InChIKeyKPYIUXVOALDPJP-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.42
Rot. Bonds3

About [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3231965) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID3231965
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1c(SC)nnc1C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H25N5OS/c1-3-20-13(16-17-14(20)22-2)12-6-10-19(11-7-12)15(21)18-8-4-5-9-18/h12H,3-11H2,1-2H3
InChIKeyKPYIUXVOALDPJP-UHFFFAOYSA-N
XLogP2.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-Piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 855207
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231964
[4-(5-Methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 6489314
2-[(5-Propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 855223
N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 3231958
2-[3-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 6489356
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 6489486
2-[(4-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 855311
1-(4-Methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1451354
2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3212511
1-(3-Methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3212542
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231947

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 3231965) is [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is CCn1c(SC)nnc1C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KPYIUXVOALDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-3-20-13(16-17-14(20)22-2)12-6-10-19(11-7-12)15(21)18-8-4-5-9-18/h12H,3-11H2,1-2H3.
What are the key properties of [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 323.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3231965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).