(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone

C26H28N6O3 — CID 3804993

IUPAC(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N6O3/c1-19-23(28-32(27-19)22-11-6-3-7-12-22)26(35)31-16-8-15-30(31)25(34)21-13-17-29(18-14-21)24(33)20-9-4-2-5-10-20/h2-7,9-12,21H,8,13-18H2,1H3
InChIKeyYIMZFCAXNLGMEA-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.72
Rot. Bonds4

About (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone

(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3804993) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3804993
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N6O3/c1-19-23(28-32(27-19)22-11-6-3-7-12-22)26(35)31-16-8-15-30(31)25(34)21-13-17-29(18-14-21)24(33)20-9-4-2-5-10-20/h2-7,9-12,21H,8,13-18H2,1H3
InChIKeyYIMZFCAXNLGMEA-UHFFFAOYSA-N
XLogP2.72
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 3698286
3-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-oxopropanenitrile
CID 3681571
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 4984386
3-ethoxy-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3856805
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308
ethyl 1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-3-carboxylate
CID 46532056
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone (CID 3804993) is (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is YIMZFCAXNLGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-19-23(28-32(27-19)22-11-6-3-7-12-22)26(35)31-16-8-15-30(31)25(34)21-13-17-29(18-14-21)24(33)20-9-4-2-5-10-20/h2-7,9-12,21H,8,13-18H2,1H3.
What are the key properties of (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone?
(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 472.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3804993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).