[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

C19H21N5O3 — CID 167826166

IUPAC[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(CO)C(O)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H21N5O3/c1-12-17(19(27)23-9-7-14(11-25)16(26)10-23)21-22-24(12)15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,14,16,25-26H,7,9-11H2,1H3
InChIKeyQIHKABNWYMAEJJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.94
Rot. Bonds3

About [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (PubChem CID 167826166) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
PubChem CID167826166
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(CO)C(O)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H21N5O3/c1-12-17(19(27)23-9-7-14(11-25)16(26)10-23)21-22-24(12)15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,14,16,25-26H,7,9-11H2,1H3
InChIKeyQIHKABNWYMAEJJ-UHFFFAOYSA-N
XLogP0.94
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 120534404
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (CID 167826166) is [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCC(CO)C(O)C2)nnn1-c1cccc2cccnc12.
What is the InChIKey of [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The InChIKey is QIHKABNWYMAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-17(19(27)23-9-7-14(11-25)16(26)10-23)21-22-24(12)15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,14,16,25-26H,7,9-11H2,1H3.
What are the key properties of [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone has a molecular weight of 367.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is sourced from PubChem (CID 167826166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).