N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

C16H29N5OS — CID 35417603

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C16H29N5OS/c1-3-5-14-18-19-16(23)21(14)12-15(22)17-8-4-9-20-10-6-13(2)7-11-20/h13H,3-12H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyPQCIFHYQSUHFNC-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.13
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 35417603) has the molecular formula C16H29N5OS and a molecular weight of 339.51 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID35417603
Molecular FormulaC16H29N5OS
Molecular Weight339.51 g/mol
Exact Mass339.21
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C16H29N5OS/c1-3-5-14-18-19-16(23)21(14)12-15(22)17-8-4-9-20-10-6-13(2)7-11-20/h13H,3-12H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyPQCIFHYQSUHFNC-UHFFFAOYSA-N
XLogP2.13
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]acetamide
CID 55724886
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 55657670
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 30186655
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 100849322
2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
CID 4962445
2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47122715
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 18117954
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 29262791
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 18104619

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (CID 35417603) is N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is CCCc1n[nH]c(=S)n1CC(=O)NCCCN1CCC(C)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is PQCIFHYQSUHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5OS/c1-3-5-14-18-19-16(23)21(14)12-15(22)17-8-4-9-20-10-6-13(2)7-11-20/h13H,3-12H2,1-2H3,(H,17,22)(H,19,23).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 339.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 35417603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).