1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one

C30H34N2O — CID 10003267

IUPAC1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C30H34N2O/c33-30(14-11-24-15-18-31(19-16-24)22-25-7-3-1-4-8-25)28-12-13-29-27(21-28)17-20-32(29)23-26-9-5-2-6-10-26/h1-10,12-13,21,24H,11,14-20,22-23H2
InChIKeyYCTWZDMIQMYEFZ-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.12
Rot. Bonds8

About 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one

1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one (PubChem CID 10003267) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
PubChem CID10003267
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C30H34N2O/c33-30(14-11-24-15-18-31(19-16-24)22-25-7-3-1-4-8-25)28-12-13-29-27(21-28)17-20-32(29)23-26-9-5-2-6-10-26/h1-10,12-13,21,24H,11,14-20,22-23H2
InChIKeyYCTWZDMIQMYEFZ-UHFFFAOYSA-N
XLogP6.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one (CID 10003267) is 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The InChIKey is YCTWZDMIQMYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c33-30(14-11-24-15-18-31(19-16-24)22-25-7-3-1-4-8-25)28-12-13-29-27(21-28)17-20-32(29)23-26-9-5-2-6-10-26/h1-10,12-13,21,24H,11,14-20,22-23H2.
What are the key properties of 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one has a molecular weight of 438.62 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,3-dihydroindol-5-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 10003267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).