1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one

C18H25NO2 — CID 21461194

IUPAC1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H25NO2/c1-3-18(20)19-10-8-14(9-11-19)16-7-5-13-4-6-15(21-2)12-17(13)16/h4,6,12,14,16H,3,5,7-11H2,1-2H3
InChIKeyDFDWNTSSTAMMLY-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 21461194) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
PubChem CID21461194
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H25NO2/c1-3-18(20)19-10-8-14(9-11-19)16-7-5-13-4-6-15(21-2)12-17(13)16/h4,6,12,14,16H,3,5,7-11H2,1-2H3
InChIKeyDFDWNTSSTAMMLY-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
CID 21461147
4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
CID 70279955
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 93153864

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one (CID 21461194) is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C2CCc3ccc(OC)cc32)CC1.
What is the InChIKey of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is DFDWNTSSTAMMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-18(20)19-10-8-14(9-11-19)16-7-5-13-4-6-15(21-2)12-17(13)16/h4,6,12,14,16H,3,5,7-11H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one?
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 21461194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).