3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one

C24H28N2O — CID 90655979

IUPAC3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-13,20-21H,2,14-18H2,1H3/b11-8+
InChIKeyGFNNCQAQIGNTNV-DHZHZOJOSA-N
MW360.50 g/mol
LogP4.70
Rot. Bonds5

About 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one

3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 90655979) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID90655979
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-13,20-21H,2,14-18H2,1H3/b11-8+
InChIKeyGFNNCQAQIGNTNV-DHZHZOJOSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one (CID 90655979) is 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one is CCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is GFNNCQAQIGNTNV-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-13,20-21H,2,14-18H2,1H3/b11-8+.
What are the key properties of 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one?
3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 90655979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).