1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone

C22H24N2O — CID 142914293

IUPAC1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccc(C)cc3)c3ccccn23)CC1
InChIInChI=1S/C22H24N2O/c1-16-6-8-18(9-7-16)20-15-22(24-12-4-3-5-21(20)24)19-10-13-23(14-11-19)17(2)25/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyWZYXWFSBFCCLSM-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.64
Rot. Bonds2

About 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone

1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone (PubChem CID 142914293) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone
PubChem CID142914293
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccc(C)cc3)c3ccccn23)CC1
InChIInChI=1S/C22H24N2O/c1-16-6-8-18(9-7-16)20-15-22(24-12-4-3-5-21(20)24)19-10-13-23(14-11-19)17(2)25/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyWZYXWFSBFCCLSM-UHFFFAOYSA-N
XLogP4.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743
1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
CID 20687144
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 167832577
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
1-[4-(7-methoxy-1-phenylimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 126473836
1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 146590452
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
2-(4-methylphenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 131927097

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone (CID 142914293) is 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(-c3ccc(C)cc3)c3ccccn23)CC1.
What is the InChIKey of 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is WZYXWFSBFCCLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-6-8-18(9-7-16)20-15-22(24-12-4-3-5-21(20)24)19-10-13-23(14-11-19)17(2)25/h3-9,12,15,19H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone?
1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142914293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).