(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone

C29H30N2O2 — CID 59429650

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3
InChIKeyCNSKGQLUHJUOKZ-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.21
Rot. Bonds5

About (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone (PubChem CID 59429650) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone
PubChem CID59429650
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3
InChIKeyCNSKGQLUHJUOKZ-UHFFFAOYSA-N
XLogP5.21
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone (CID 59429650) is (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone is Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone?
The InChIKey is CNSKGQLUHJUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone has a molecular weight of 438.57 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(1-benzyl-2-methylindol-3-yl)methanone is sourced from PubChem (CID 59429650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).