(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

C19H25N5O — CID 119778435

IUPAC(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc3C2C)nnn1C1CCNCC1
InChIInChI=1S/C19H25N5O/c1-13-17-6-4-3-5-15(17)9-12-23(13)19(25)18-14(2)24(22-21-18)16-7-10-20-11-8-16/h3-6,13,16,20H,7-12H2,1-2H3
InChIKeyXKXKPCLRZCWMEI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds2

About (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119778435) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119778435
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc3C2C)nnn1C1CCNCC1
InChIInChI=1S/C19H25N5O/c1-13-17-6-4-3-5-15(17)9-12-23(13)19(25)18-14(2)24(22-21-18)16-7-10-20-11-8-16/h3-6,13,16,20H,7-12H2,1-2H3
InChIKeyXKXKPCLRZCWMEI-UHFFFAOYSA-N
XLogP2.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 119732398
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
5-methyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124689134
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
CID 119732397
(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119790913
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119850392
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(3-phenylthiomorpholin-4-yl)methanone;hydrochloride
CID 119708916
[4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119831869
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (CID 119778435) is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCc3ccccc3C2C)nnn1C1CCNCC1.
What is the InChIKey of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is XKXKPCLRZCWMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-17-6-4-3-5-15(17)9-12-23(13)19(25)18-14(2)24(22-21-18)16-7-10-20-11-8-16/h3-6,13,16,20H,7-12H2,1-2H3.
What are the key properties of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119778435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).