[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone

C22H22N4O2 — CID 17445120

IUPAC[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-16-20(24-26(23-16)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,18H,12-15H2,1H3
InChIKeyNMVNOGMCKCWGDS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds4

About [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone

[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone (PubChem CID 17445120) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
PubChem CID17445120
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-16-20(24-26(23-16)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,18H,12-15H2,1H3
InChIKeyNMVNOGMCKCWGDS-UHFFFAOYSA-N
XLogP3.31
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
CID 3804993
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
ethyl 1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-3-carboxylate
CID 46532056
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473179
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone (CID 17445120) is [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is NMVNOGMCKCWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-20(24-26(23-16)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,18H,12-15H2,1H3.
What are the key properties of [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone?
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 17445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).