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

C19H26ClN5O — CID 102553434

IUPAC5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc2c1CCC2NC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-12-4-3-5-16-15(12)6-7-17(16)21-19(25)18-13(2)24(23-22-18)14-8-10-20-11-9-14;/h3-5,14,17,20H,6-11H2,1-2H3,(H,21,25);1H
InChIKeyKMWNVYVWLMFFEX-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.66
Rot. Bonds3

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

5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 102553434) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID102553434
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc2c1CCC2NC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-12-4-3-5-16-15(12)6-7-17(16)21-19(25)18-13(2)24(23-22-18)14-8-10-20-11-9-14;/h3-5,14,17,20H,6-11H2,1-2H3,(H,21,25);1H
InChIKeyKMWNVYVWLMFFEX-UHFFFAOYSA-N
XLogP2.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 102553434) is 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cccc2c1CCC2NC(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KMWNVYVWLMFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c1-12-4-3-5-16-15(12)6-7-17(16)21-19(25)18-13(2)24(23-22-18)14-8-10-20-11-9-14;/h3-5,14,17,20H,6-11H2,1-2H3,(H,21,25);1H.
What are the key properties of 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 102553434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).