1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one

C21H28N2O2 — CID 124549553

IUPAC1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
SMILESCCCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12
InChIInChI=1S/C21H28N2O2/c1-4-8-20(24)18-13-22(19-12-6-5-11-17(18)19)14-21(25)23-15(2)9-7-10-16(23)3/h5-6,11-13,15-16H,4,7-10,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDRJCYWUBIFGEQC-HZPDHXFCSA-N
MW340.47 g/mol
LogP4.41
Rot. Bonds5

About 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one

1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one (PubChem CID 124549553) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
PubChem CID124549553
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
SMILESCCCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12
InChIInChI=1S/C21H28N2O2/c1-4-8-20(24)18-13-22(19-12-6-5-11-17(18)19)14-21(25)23-15(2)9-7-10-16(23)3/h5-6,11-13,15-16H,4,7-10,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDRJCYWUBIFGEQC-HZPDHXFCSA-N
XLogP4.41
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one with MolForge

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Related Compounds

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
CID 3145522
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
1-[1-[2-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 154811502
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3419928
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]ethanone
CID 59397766
1-[1-[2-oxo-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethyl]indol-3-yl]butan-1-one
CID 119067475
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4067931

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one?
The IUPAC name of 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one (CID 124549553) is 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one is CCCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12.
What is the InChIKey of 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one?
The InChIKey is DRJCYWUBIFGEQC-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-8-20(24)18-13-22(19-12-6-5-11-17(18)19)14-21(25)23-15(2)9-7-10-16(23)3/h5-6,11-13,15-16H,4,7-10,14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one?
1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one has a molecular weight of 340.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one is sourced from PubChem (CID 124549553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).