(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

C18H19N5O2 — CID 111111026

IUPAC(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H19N5O2/c1-12-16(18(25)22-10-7-14(24)8-11-22)20-21-23(12)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,14,24H,7-8,10-11H2,1H3
InChIKeyXEBWVDIFEBXAED-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.72
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (PubChem CID 111111026) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
PubChem CID111111026
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H19N5O2/c1-12-16(18(25)22-10-7-14(24)8-11-22)20-21-23(12)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,14,24H,7-8,10-11H2,1H3
InChIKeyXEBWVDIFEBXAED-UHFFFAOYSA-N
XLogP1.72
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 120534404
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (CID 111111026) is (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCC(O)CC2)nnn1-c1cccc2cccnc12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The InChIKey is XEBWVDIFEBXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-16(18(25)22-10-7-14(24)8-11-22)20-21-23(12)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,14,24H,7-8,10-11H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is sourced from PubChem (CID 111111026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).