3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one

C21H28N2O2 — CID 123417918

IUPAC3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one
SMILESCC1CCC1CC(=O)CC1C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-14-6-7-15(14)12-17(24)13-19-18-4-2-3-5-20(18)23(21(19)25)16-8-10-22-11-9-16/h2-5,14-16,19,22H,6-13H2,1H3
InChIKeyLNRNNFYFXCSLMD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.26
Rot. Bonds5

About 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one

3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one (PubChem CID 123417918) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one.

Molecular Properties

Compound Name3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one
PubChem CID123417918
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one
SMILESCC1CCC1CC(=O)CC1C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-14-6-7-15(14)12-17(24)13-19-18-4-2-3-5-20(18)23(21(19)25)16-8-10-22-11-9-16/h2-5,14-16,19,22H,6-13H2,1H3
InChIKeyLNRNNFYFXCSLMD-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one
CID 123145244
3-amino-1-piperidin-4-yl-3H-indol-2-one
CID 174586562
4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
CID 19423615
2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide
CID 134563453
2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid
CID 118522148
2-[1-(1-cyclohexylpiperidin-4-yl)-2-oxo-3H-indol-3-yl]-N-hydroxyacetamide
CID 134578556
ethyl 2-[1-[1-[(1R,2S)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetate
CID 118522188
ethyl 2-[1-[1-[(2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetate
CID 134231915
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 22914652
10-piperidin-4-ylphenothiazine
CID 58293865
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N,N-dimethylacetamide
CID 90259577

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one?
The IUPAC name of 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one (CID 123417918) is 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one.
What is the SMILES notation for 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one?
The canonical SMILES for 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one is CC1CCC1CC(=O)CC1C(=O)N(C2CCNCC2)c2ccccc21.
What is the InChIKey of 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one?
The InChIKey is LNRNNFYFXCSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-6-7-15(14)12-17(24)13-19-18-4-2-3-5-20(18)23(21(19)25)16-8-10-22-11-9-16/h2-5,14-16,19,22H,6-13H2,1H3.
What are the key properties of 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one?
3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one is sourced from PubChem (CID 123417918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).