4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one

C24H26Cl2N4O2 — CID 147262357

IUPAC4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1ncn(-c2ccc(C3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)c1=O
InChIInChI=1S/C24H26Cl2N4O2/c1-16(2)30-24(32)29(15-27-30)19-8-6-17(7-9-19)18-10-12-28(13-11-18)23(31)14-20-21(25)4-3-5-22(20)26/h3-9,15-16,18H,10-14H2,1-2H3
InChIKeyCOUUEVVKBSOVNQ-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.87
Rot. Bonds5

About 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one

4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 147262357) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one
PubChem CID147262357
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC Name4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1ncn(-c2ccc(C3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)c1=O
InChIInChI=1S/C24H26Cl2N4O2/c1-16(2)30-24(32)29(15-27-30)19-8-6-17(7-9-19)18-10-12-28(13-11-18)23(31)14-20-21(25)4-3-5-22(20)26/h3-9,15-16,18H,10-14H2,1-2H3
InChIKeyCOUUEVVKBSOVNQ-UHFFFAOYSA-N
XLogP4.87
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one
CID 150399822
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
CID 146102267
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 106838886
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,6-dichlorophenyl)ethanone
CID 119638994
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746374
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one (CID 147262357) is 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1ncn(-c2ccc(C3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)c1=O.
What is the InChIKey of 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is COUUEVVKBSOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-16(2)30-24(32)29(15-27-30)19-8-6-17(7-9-19)18-10-12-28(13-11-18)23(31)14-20-21(25)4-3-5-22(20)26/h3-9,15-16,18H,10-14H2,1-2H3.
What are the key properties of 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one?
4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 473.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 147262357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).