N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O — CID 119717301

IUPACN,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCC(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-12-5-4-6-15(11-12)21(3)17(23)16-13(2)22(20-19-16)14-7-9-18-10-8-14/h12,14-15,18H,4-11H2,1-3H3
InChIKeyBNCOSTLAXATANW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.16
Rot. Bonds3

About N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119717301) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119717301
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCC(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-12-5-4-6-15(11-12)21(3)17(23)16-13(2)22(20-19-16)14-7-9-18-10-8-14/h12,14-15,18H,4-11H2,1-3H3
InChIKeyBNCOSTLAXATANW-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119717301) is N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCCC(C)C2)nnn1C1CCNCC1.
What is the InChIKey of N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is BNCOSTLAXATANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-5-4-6-15(11-12)21(3)17(23)16-13(2)22(20-19-16)14-7-9-18-10-8-14/h12,14-15,18H,4-11H2,1-3H3.
What are the key properties of N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119717301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).