(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C17H25N3O3 — CID 138049698

IUPAC(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1cccc2c1CCC2(N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-3-14-13(15)5-6-17(14,18)16(22)20-9-7-19(8-10-20)11-12-21/h2-4,21H,5-12,18H2,1H3
InChIKeyOEJNNLBHGQFLHB-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.07
Rot. Bonds4

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

(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 138049698) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID138049698
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1cccc2c1CCC2(N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-3-14-13(15)5-6-17(14,18)16(22)20-9-7-19(8-10-20)11-12-21/h2-4,21H,5-12,18H2,1H3
InChIKeyOEJNNLBHGQFLHB-UHFFFAOYSA-N
XLogP-0.07
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 138010034
4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
CID 154787003
1-amino-4-methoxy-N-propyl-2,3-dihydroindene-1-carboxamide
CID 138014884
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide
CID 167770980
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 138049698) is (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is COc1cccc2c1CCC2(N)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is OEJNNLBHGQFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-4-2-3-14-13(15)5-6-17(14,18)16(22)20-9-7-19(8-10-20)11-12-21/h2-4,21H,5-12,18H2,1H3.
What are the key properties of (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methoxy-2,3-dihydroinden-1-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138049698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).