N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24ClN5O — CID 119696980

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-12-17(21-22-23(12)14-8-10-19-11-9-14)18(24)20-16-7-6-13-4-2-3-5-15(13)16;/h2-5,14,16,19H,6-11H2,1H3,(H,20,24);1H
InChIKeyLLROQIROMYBTBC-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.35
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119696980) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119696980
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-12-17(21-22-23(12)14-8-10-19-11-9-14)18(24)20-16-7-6-13-4-2-3-5-15(13)16;/h2-5,14,16,19H,6-11H2,1H3,(H,20,24);1H
InChIKeyLLROQIROMYBTBC-UHFFFAOYSA-N
XLogP2.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 102553434
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746646
5-methyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124689134
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822533
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746221
5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride
CID 119787326
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119778435
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 124841815
5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124691466
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119850392
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119696980) is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCc3ccccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LLROQIROMYBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-12-17(21-22-23(12)14-8-10-19-11-9-14)18(24)20-16-7-6-13-4-2-3-5-15(13)16;/h2-5,14,16,19H,6-11H2,1H3,(H,20,24);1H.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119696980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).