N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O — CID 119763852

IUPACN-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCCCCC1
InChIInChI=1S/C17H29N5O/c1-21(14-7-5-3-2-4-6-8-14)17(23)16-13-22(20-19-16)15-9-11-18-12-10-15/h13-15,18H,2-12H2,1H3
InChIKeyPMMCHRZZWQRICN-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.39
Rot. Bonds3

About N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119763852) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119763852
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCCCCC1
InChIInChI=1S/C17H29N5O/c1-21(14-7-5-3-2-4-6-8-14)17(23)16-13-22(20-19-16)15-9-11-18-12-10-15/h13-15,18H,2-12H2,1H3
InChIKeyPMMCHRZZWQRICN-UHFFFAOYSA-N
XLogP2.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
CID 79315997
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119886852
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119763852) is N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is CN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PMMCHRZZWQRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21(14-7-5-3-2-4-6-8-14)17(23)16-13-22(20-19-16)15-9-11-18-12-10-15/h13-15,18H,2-12H2,1H3.
What are the key properties of N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119763852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).