(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

C24H28N2O2 — CID 15015461

IUPAC(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CCCCN3C)c3ccccc23)cc1
InChIInChI=1S/C24H28N2O2/c1-17-23(24(27)18-11-13-20(28-3)14-12-18)21-9-4-5-10-22(21)26(17)16-19-8-6-7-15-25(19)2/h4-5,9-14,19H,6-8,15-16H2,1-3H3
InChIKeyIXHRPISTPSNMMJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.67
Rot. Bonds5

About (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 15015461) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID15015461
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CCCCN3C)c3ccccc23)cc1
InChIInChI=1S/C24H28N2O2/c1-17-23(24(27)18-11-13-20(28-3)14-12-18)21-9-4-5-10-22(21)26(17)16-19-8-6-7-15-25(19)2/h4-5,9-14,19H,6-8,15-16H2,1-3H3
InChIKeyIXHRPISTPSNMMJ-UHFFFAOYSA-N
XLogP4.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 15015461) is (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is COc1ccc(C(=O)c2c(C)n(CC3CCCCN3C)c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is IXHRPISTPSNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-23(24(27)18-11-13-20(28-3)14-12-18)21-9-4-5-10-22(21)26(17)16-19-8-6-7-15-25(19)2/h4-5,9-14,19H,6-8,15-16H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
(4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 15015461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).