N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H30ClN5O2 — CID 119803468

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13;/h13-15,19H,3-11H2,1-2H3,(H,20,24);1H
InChIKeyGCOZFRBQEPSEFV-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.01
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119803468) has the molecular formula C18H30ClN5O2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119803468
Molecular FormulaC18H30ClN5O2
Molecular Weight383.92 g/mol
Exact Mass383.21
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13;/h13-15,19H,3-11H2,1-2H3,(H,20,24);1H
InChIKeyGCOZFRBQEPSEFV-UHFFFAOYSA-N
XLogP2.01
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
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CID 119793290
N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818944
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119817932
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049
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
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119803468) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCOC1CC(NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2.Cl.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is GCOZFRBQEPSEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.ClH/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13;/h13-15,19H,3-11H2,1-2H3,(H,20,24);1H.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).