6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C27H27N5O3 — CID 55852244

IUPAC6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(C)c4nc(-c5ccccc5)no4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C27H27N5O3/c1-18-7-6-10-21(17-18)23-12-11-22(25(33)28-23)27(34)32-15-13-31(14-16-32)19(2)26-29-24(30-35-26)20-8-4-3-5-9-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,33)
InChIKeyHNBTUCHNHMQPFB-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.92
Rot. Bonds5

About 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 55852244) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID55852244
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(C)c4nc(-c5ccccc5)no4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C27H27N5O3/c1-18-7-6-10-21(17-18)23-12-11-22(25(33)28-23)27(34)32-15-13-31(14-16-32)19(2)26-29-24(30-35-26)20-8-4-3-5-9-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,33)
InChIKeyHNBTUCHNHMQPFB-UHFFFAOYSA-N
XLogP3.92
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43063170
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
(3-methylthiophen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065073
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 43063165
(5-chloro-1H-indol-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 55683124
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55602230
(5-bromo-3-pyridinyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065034
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55753141

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 55852244) is 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cccc(-c2ccc(C(=O)N3CCN(C(C)c4nc(-c5ccccc5)no4)CC3)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HNBTUCHNHMQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-18-7-6-10-21(17-18)23-12-11-22(25(33)28-23)27(34)32-15-13-31(14-16-32)19(2)26-29-24(30-35-26)20-8-4-3-5-9-20/h3-12,17,19H,13-16H2,1-2H3,(H,28,33).
What are the key properties of 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 469.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 55852244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).