N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O — CID 119676175

IUPACN-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-11-5-4-6-15(12(11)2)19-17(23)16-13(3)22(21-20-16)14-7-9-18-10-8-14/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23)
InChIKeyDCWBKMXJSBLQHP-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.07
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119676175) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119676175
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-11-5-4-6-15(12(11)2)19-17(23)16-13(3)22(21-20-16)14-7-9-18-10-8-14/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23)
InChIKeyDCWBKMXJSBLQHP-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119676175) is N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCC(C)C2C)nnn1C1CCNCC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DCWBKMXJSBLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-11-5-4-6-15(12(11)2)19-17(23)16-13(3)22(21-20-16)14-7-9-18-10-8-14/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119676175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).