1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one

C29H32N2O2 — CID 14624161

IUPAC1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c32-28-22-25-14-7-8-15-27(25)31(28)19-9-18-30-20-16-26(17-21-30)33-29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15,26,29H,9,16-22H2
InChIKeyVLNIHGSNSIDXPD-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.24
Rot. Bonds8

About 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one

1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one (PubChem CID 14624161) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one
PubChem CID14624161
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c32-28-22-25-14-7-8-15-27(25)31(28)19-9-18-30-20-16-26(17-21-30)33-29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15,26,29H,9,16-22H2
InChIKeyVLNIHGSNSIDXPD-UHFFFAOYSA-N
XLogP5.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one?
The IUPAC name of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one (CID 14624161) is 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one?
The canonical SMILES for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one?
The InChIKey is VLNIHGSNSIDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28-22-25-14-7-8-15-27(25)31(28)19-9-18-30-20-16-26(17-21-30)33-29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15,26,29H,9,16-22H2.
What are the key properties of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one?
1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one has a molecular weight of 440.59 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3H-indol-2-one is sourced from PubChem (CID 14624161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).