(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

C24H29NO4 — CID 134231099

IUPAC(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(C)(C(=O)N1CCC(Oc3ccccc3OC)CC1)CC2
InChIInChI=1S/C24H29NO4/c1-24(13-10-17-8-9-19(27-2)16-20(17)24)23(26)25-14-11-18(12-15-25)29-22-7-5-4-6-21(22)28-3/h4-9,16,18H,10-15H2,1-3H3
InChIKeyWCEMZRZSMWPNOS-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.98
Rot. Bonds5

About (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 134231099) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID134231099
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(C)(C(=O)N1CCC(Oc3ccccc3OC)CC1)CC2
InChIInChI=1S/C24H29NO4/c1-24(13-10-17-8-9-19(27-2)16-20(17)24)23(26)25-14-11-18(12-15-25)29-22-7-5-4-6-21(22)28-3/h4-9,16,18H,10-15H2,1-3H3
InChIKeyWCEMZRZSMWPNOS-UHFFFAOYSA-N
XLogP3.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (CID 134231099) is (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccc2c(c1)C(C)(C(=O)N1CCC(Oc3ccccc3OC)CC1)CC2.
What is the InChIKey of (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is WCEMZRZSMWPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(13-10-17-8-9-19(27-2)16-20(17)24)23(26)25-14-11-18(12-15-25)29-22-7-5-4-6-21(22)28-3/h4-9,16,18H,10-15H2,1-3H3.
What are the key properties of (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
(6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methyl-2,3-dihydroinden-1-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 134231099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).