N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H30ClN5O2 — CID 119817932

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)c2nnn(C3CCNCC3)c2C)C1(C)C.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-11-14(20-21-22(11)12-6-8-18-9-7-12)15(23)19-13-10-17(4,24-5)16(13,2)3;/h12-13,18H,6-10H2,1-5H3,(H,19,23);1H
InChIKeyNLKHLJUQTFRXLV-UHFFFAOYSA-N
MW371.91 g/mol
LogP1.87
Rot. Bonds4

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119817932) has the molecular formula C17H30ClN5O2 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119817932
Molecular FormulaC17H30ClN5O2
Molecular Weight371.91 g/mol
Exact Mass371.21
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)c2nnn(C3CCNCC3)c2C)C1(C)C.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-11-14(20-21-22(11)12-6-8-18-9-7-12)15(23)19-13-10-17(4,24-5)16(13,2)3;/h12-13,18H,6-10H2,1-5H3,(H,19,23);1H
InChIKeyNLKHLJUQTFRXLV-UHFFFAOYSA-N
XLogP1.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
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CID 119803468
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119765781
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683410
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
methyl 1-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]cycloheptane-1-carboxylate;hydrochloride
CID 119704565
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119817932) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COC1(C)CC(NC(=O)c2nnn(C3CCNCC3)c2C)C1(C)C.Cl.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is NLKHLJUQTFRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.ClH/c1-11-14(20-21-22(11)12-6-8-18-9-7-12)15(23)19-13-10-17(4,24-5)16(13,2)3;/h12-13,18H,6-10H2,1-5H3,(H,19,23);1H.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119817932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).