N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide

C17H29N5O — CID 120642628

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C17H29N5O/c1-22-17(19-15(21-22)13-9-11-18-12-10-13)20-16(23)14-7-5-3-2-4-6-8-14/h13-14,18H,2-12H2,1H3,(H,19,20,21,23)
InChIKeyYFEMEPADKBFIOI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide (PubChem CID 120642628) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
PubChem CID120642628
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C17H29N5O/c1-22-17(19-15(21-22)13-9-11-18-12-10-13)20-16(23)14-7-5-3-2-4-6-8-14/h13-14,18H,2-12H2,1H3,(H,19,20,21,23)
InChIKeyYFEMEPADKBFIOI-UHFFFAOYSA-N
XLogP2.58
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexanecarboxamide;hydrochloride
CID 120641896
1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120644621
3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644548
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120644607
3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642177
2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120643599
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120642686
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 120643076
2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643519
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide (CID 120642628) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide?
The InChIKey is YFEMEPADKBFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-22-17(19-15(21-22)13-9-11-18-12-10-13)20-16(23)14-7-5-3-2-4-6-8-14/h13-14,18H,2-12H2,1H3,(H,19,20,21,23).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide is sourced from PubChem (CID 120642628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).