N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H30ClN5O2 — CID 119731690

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13;/h13-15,18,23H,2-11H2,1H3,(H,19,24);1H
InChIKeyPDVPFUHXBZPOJL-UHFFFAOYSA-N
MW371.91 g/mol
LogP1.60
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119731690) has the molecular formula C17H30ClN5O2 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119731690
Molecular FormulaC17H30ClN5O2
Molecular Weight371.91 g/mol
Exact Mass371.21
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13;/h13-15,18,23H,2-11H2,1H3,(H,19,24);1H
InChIKeyPDVPFUHXBZPOJL-UHFFFAOYSA-N
XLogP1.60
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735344
N-(2-hydroxy-2-naphthalen-2-ylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119708285
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119731690) is N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is PDVPFUHXBZPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.ClH/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13;/h13-15,18,23H,2-11H2,1H3,(H,19,24);1H.
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119731690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).