(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C20H21N5O — CID 53192642

IUPAC(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nncn3-c3ccccc3)CC2)cn1
InChIInChI=1S/C20H21N5O/c1-15-7-8-17(13-21-15)20(26)24-11-9-16(10-12-24)19-23-22-14-25(19)18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3
InChIKeyOVPUXZSOMVXCQZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds3

About (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192642) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192642
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nncn3-c3ccccc3)CC2)cn1
InChIInChI=1S/C20H21N5O/c1-15-7-8-17(13-21-15)20(26)24-11-9-16(10-12-24)19-23-22-14-25(19)18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3
InChIKeyOVPUXZSOMVXCQZ-UHFFFAOYSA-N
XLogP2.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53192818
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192642) is (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3nncn3-c3ccccc3)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is OVPUXZSOMVXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-7-8-17(13-21-15)20(26)24-11-9-16(10-12-24)19-23-22-14-25(19)18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).