(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one

C16H22N2O — CID 86334658

IUPAC(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one
SMILESCC[C@@]1(C)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-3-16(2)13-6-4-5-7-14(13)18(15(16)19)12-8-10-17-11-9-12/h4-7,12,17H,3,8-11H2,1-2H3/t16-/m1/s1
InChIKeyXALVRMVOEYXCQZ-MRXNPFEDSA-N
MW258.36 g/mol
LogP2.45
Rot. Bonds2

About (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one

(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one (PubChem CID 86334658) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one
PubChem CID86334658
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one
SMILESCC[C@@]1(C)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-3-16(2)13-6-4-5-7-14(13)18(15(16)19)12-8-10-17-11-9-12/h4-7,12,17H,3,8-11H2,1-2H3/t16-/m1/s1
InChIKeyXALVRMVOEYXCQZ-MRXNPFEDSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one?
The IUPAC name of (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one (CID 86334658) is (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one.
What is the SMILES notation for (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one?
The canonical SMILES for (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one is CC[C@@]1(C)C(=O)N(C2CCNCC2)c2ccccc21.
What is the InChIKey of (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one?
The InChIKey is XALVRMVOEYXCQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(2)13-6-4-5-7-14(13)18(15(16)19)12-8-10-17-11-9-12/h4-7,12,17H,3,8-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one?
(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one is sourced from PubChem (CID 86334658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).