(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride

C19H26ClN5O — CID 119732397

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCCCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-14-18(21-22-24(14)16-9-11-20-12-10-16)19(25)23-13-5-4-7-15-6-2-3-8-17(15)23;/h2-3,6,8,16,20H,4-5,7,9-13H2,1H3;1H
InChIKeyGGCVGSVZOCSQQP-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.92
Rot. Bonds2

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride

(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride (PubChem CID 119732397) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
PubChem CID119732397
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCCCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-14-18(21-22-24(14)16-9-11-20-12-10-16)19(25)23-13-5-4-7-15-6-2-3-8-17(15)23;/h2-3,6,8,16,20H,4-5,7,9-13H2,1H3;1H
InChIKeyGGCVGSVZOCSQQP-UHFFFAOYSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 119732398
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119747290
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119778435
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
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)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076
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
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 124701146
(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

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride (CID 119732397) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride is Cc1c(C(=O)N2CCCCc3ccccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride?
The InChIKey is GGCVGSVZOCSQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c1-14-18(21-22-24(14)16-9-11-20-12-10-16)19(25)23-13-5-4-7-15-6-2-3-8-17(15)23;/h2-3,6,8,16,20H,4-5,7,9-13H2,1H3;1H.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119732397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).