1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide

C12H19N5O2S — CID 9373158

IUPAC1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESCc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1C
InChIInChI=1S/C12H19N5O2S/c1-8-14-15-12(16(8)2)20-7-10(18)17-5-3-9(4-6-17)11(13)19/h9H,3-7H2,1-2H3,(H2,13,19)
InChIKeyFBYCNAOOXKIFOJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.06
Rot. Bonds4

About 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide

1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 9373158) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
PubChem CID9373158
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESCc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1C
InChIInChI=1S/C12H19N5O2S/c1-8-14-15-12(16(8)2)20-7-10(18)17-5-3-9(4-6-17)11(13)19/h9H,3-7H2,1-2H3,(H2,13,19)
InChIKeyFBYCNAOOXKIFOJ-UHFFFAOYSA-N
XLogP-0.06
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
CID 62657239
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 65294799
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957
2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 9373194
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 61468039
1-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 7681794
methyl 1-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 7870096
N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9373190
2-[4-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9170917
1-(azepan-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 9262099

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide (CID 9373158) is 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide is Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The InChIKey is FBYCNAOOXKIFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-8-14-15-12(16(8)2)20-7-10(18)17-5-3-9(4-6-17)11(13)19/h9H,3-7H2,1-2H3,(H2,13,19).
What are the key properties of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 9373158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).