N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

C18H23N5OS — CID 36787144

IUPACN-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1)C1CC1
InChIInChI=1S/C18H23N5OS/c24-17(14-6-7-14)20-15-8-10-21(11-9-15)13-23-18(25)22(12-19-23)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,24)
InChIKeyUDFRCIVSGNKBQP-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 36787144) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID36787144
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1)C1CC1
InChIInChI=1S/C18H23N5OS/c24-17(14-6-7-14)20-15-8-10-21(11-9-15)13-23-18(25)22(12-19-23)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,24)
InChIKeyUDFRCIVSGNKBQP-UHFFFAOYSA-N
XLogP2.35
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36787634
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone
CID 26035899
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione
CID 17491024
N-(2,3-dimethylphenyl)-2-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide
CID 29104160
N-[1-[(3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidin-4-yl]benzamide
CID 17479548
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-[[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325954
N-cyclopropyl-1-[(4-phenylpyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 51097163
N-[1-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide
CID 26000617
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36781248

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 36787144) is N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1)C1CC1.
What is the InChIKey of N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is UDFRCIVSGNKBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17(14-6-7-14)20-15-8-10-21(11-9-15)13-23-18(25)22(12-19-23)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,24).
What are the key properties of N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 36787144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).