(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

C20H22N4O — CID 136566908

IUPAC(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc3ncnn23)CC1c1ccccc1
InChIInChI=1S/C20H22N4O/c1-20(2)11-12-23(13-16(20)15-7-4-3-5-8-15)19(25)17-9-6-10-18-21-14-22-24(17)18/h3-10,14,16H,11-13H2,1-2H3
InChIKeyHMBOWLOXSODHEZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.39
Rot. Bonds2

About (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 136566908) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID136566908
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc3ncnn23)CC1c1ccccc1
InChIInChI=1S/C20H22N4O/c1-20(2)11-12-23(13-16(20)15-7-4-3-5-8-15)19(25)17-9-6-10-18-21-14-22-24(17)18/h3-10,14,16H,11-13H2,1-2H3
InChIKeyHMBOWLOXSODHEZ-UHFFFAOYSA-N
XLogP3.39
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 136566907
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 165427231
4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
CID 136562887
N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
CID 136562803
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
CID 119059902
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 162638112
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 169413685

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (CID 136566908) is (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is CC1(C)CCN(C(=O)c2cccc3ncnn23)CC1c1ccccc1.
What is the InChIKey of (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is HMBOWLOXSODHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2)11-12-23(13-16(20)15-7-4-3-5-8-15)19(25)17-9-6-10-18-21-14-22-24(17)18/h3-10,14,16H,11-13H2,1-2H3.
What are the key properties of (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 136566908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).