3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one

C24H30N2O — CID 90655978

IUPAC3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N2O/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/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
InChIKeyDXLZFZXCXBEHHP-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.62
Rot. Bonds6

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

3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 90655978) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID90655978
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N2O/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/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
InChIKeyDXLZFZXCXBEHHP-UHFFFAOYSA-N
XLogP4.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.62
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-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one (CID 90655978) is 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one is CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is DXLZFZXCXBEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/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/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3.
What are the key properties of 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one?
3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 362.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(3-phenylpropyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 90655978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).