(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone

C23H26N2O — CID 2813851

IUPAC(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H26N2O/c1-16-12-17(2)20-15-22(24-21(20)13-16)23(26)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15,19,24H,8-11,14H2,1-2H3
InChIKeyIRGRKPYVXWKOPX-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.88
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone

(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone (PubChem CID 2813851) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
PubChem CID2813851
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H26N2O/c1-16-12-17(2)20-15-22(24-21(20)13-16)23(26)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15,19,24H,8-11,14H2,1-2H3
InChIKeyIRGRKPYVXWKOPX-UHFFFAOYSA-N
XLogP4.88
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone (CID 2813851) is (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone is Cc1cc(C)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The InChIKey is IRGRKPYVXWKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16-12-17(2)20-15-22(24-21(20)13-16)23(26)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15,19,24H,8-11,14H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
(4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 2813851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).