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

C11H17N5O2S — CID 645940

IUPAC1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESCc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n[nH]1
InChIInChI=1S/C11H17N5O2S/c1-7-13-11(15-14-7)19-6-9(17)16-4-2-8(3-5-16)10(12)18/h8H,2-6H2,1H3,(H2,12,18)(H,13,14,15)
InChIKeyVVKQEVQDEIQSIY-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.07
Rot. Bonds4

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

1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 645940) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
PubChem CID645940
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESCc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n[nH]1
InChIInChI=1S/C11H17N5O2S/c1-7-13-11(15-14-7)19-6-9(17)16-4-2-8(3-5-16)10(12)18/h8H,2-6H2,1H3,(H2,12,18)(H,13,14,15)
InChIKeyVVKQEVQDEIQSIY-UHFFFAOYSA-N
XLogP-0.07
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177680830
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177680891
1-[3-(ethylthio)propanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 90648217
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 126831327
2-[[4-Amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 7845629
1-[2-[[4-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 8306457
2-[[4-Amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 45705534
2-[[4-Amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 45705557
1-(4-Methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1451354
Ethyl 1-[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 2542685
1-(2,6-dimethylpiperidin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 16392315

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide (CID 645940) is 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide is Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n[nH]1.
What is the InChIKey of 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The InChIKey is VVKQEVQDEIQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7-13-11(15-14-7)19-6-9(17)16-4-2-8(3-5-16)10(12)18/h8H,2-6H2,1H3,(H2,12,18)(H,13,14,15).
What are the key properties of 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 283.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 645940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).