(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C18H26N2O3 — CID 138010034

IUPAC(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(N)CCc3c(OC)cccc32)CC1
InChIInChI=1S/C18H26N2O3/c1-22-12-13-7-10-20(11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)23-2/h3-5,13H,6-12,19H2,1-2H3
InChIKeyGVHQBBFLRMBPSJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds4

About (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 138010034) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID138010034
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(N)CCc3c(OC)cccc32)CC1
InChIInChI=1S/C18H26N2O3/c1-22-12-13-7-10-20(11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)23-2/h3-5,13H,6-12,19H2,1-2H3
InChIKeyGVHQBBFLRMBPSJ-UHFFFAOYSA-N
XLogP1.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 138049698
4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
CID 154787003
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 138010631
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
1-amino-4-methoxy-N-propyl-2,3-dihydroindene-1-carboxamide
CID 138014884
[1-(aminomethyl)cyclopentyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63973299
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 64892612
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 138010034) is (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)C2(N)CCc3c(OC)cccc32)CC1.
What is the InChIKey of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is GVHQBBFLRMBPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-12-13-7-10-20(11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)23-2/h3-5,13H,6-12,19H2,1-2H3.
What are the key properties of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138010034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).