(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C20H27FN2O2 — CID 138034114

IUPAC(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2cc(F)ccc21)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-2-4-18-16(13-17)1-3-19(18)20(24)23-7-5-15(6-8-23)14-22-9-11-25-12-10-22/h2,4,13,15,19H,1,3,5-12,14H2
InChIKeyWDSGUBOPBFSNKH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.43
Rot. Bonds3

About (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 138034114) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID138034114
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2cc(F)ccc21)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-2-4-18-16(13-17)1-3-19(18)20(24)23-7-5-15(6-8-23)14-22-9-11-25-12-10-22/h2,4,13,15,19H,1,3,5-12,14H2
InChIKeyWDSGUBOPBFSNKH-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-(morpholin-4-yl)-4-oxobutanamide
CID 23647140
1-Morpholino-2,2-diphenylethanone
CID 229280
(Morpholin-4-yl)(1-phenylcyclopentyl)methanone
CID 760860
N-(2-methyl-2-morpholin-4-ylpropyl)-9H-fluorene-9-carboxamide
CID 2459059
4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
CID 46230958
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
1'-[(4-Fluorophenyl)acetyl]-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 16189861
(2R*,6S*)-2,6-dimethyl-4-{[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]carbonyl}morpholine
CID 26398421
2-(3-Fluorophenyl)-1-{2-[2-(morpholin-4-YL)ethyl]piperidin-1-YL}ethan-1-one
CID 53193432
(2R*,6S*)-2,6-dimethyl-4-[2-(4-morpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 56906924
2-[5-Fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118739125
2-(1'-ethyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740882

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 138034114) is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCc2cc(F)ccc21)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WDSGUBOPBFSNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-2-4-18-16(13-17)1-3-19(18)20(24)23-7-5-15(6-8-23)14-22-9-11-25-12-10-22/h2,4,13,15,19H,1,3,5-12,14H2.
What are the key properties of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138034114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).