methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate

C24H28FNO2 — CID 175582643

IUPACmethyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CCc3cc(C(C)c4cccc(F)c4)ccc32)CC1
InChIInChI=1S/C24H28FNO2/c1-16(18-4-3-5-21(25)15-18)19-6-8-22-20(14-19)7-9-23(22)26-12-10-17(11-13-26)24(27)28-2/h3-6,8,14-17,23H,7,9-13H2,1-2H3
InChIKeyMQMPUKZSNBARJM-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.85
Rot. Bonds4

About methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate

methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate (PubChem CID 175582643) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate
PubChem CID175582643
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Namemethyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CCc3cc(C(C)c4cccc(F)c4)ccc32)CC1
InChIInChI=1S/C24H28FNO2/c1-16(18-4-3-5-21(25)15-18)19-6-8-22-20(14-19)7-9-23(22)26-12-10-17(11-13-26)24(27)28-2/h3-6,8,14-17,23H,7,9-13H2,1-2H3
InChIKeyMQMPUKZSNBARJM-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[5-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate
CID 164560608
methyl (3R)-1-[(1R)-5-[2-(3-fluorophenyl)ethynyl]-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxylate
CID 175755589
methyl 1-[5-[1-(2-fluorophenyl)azetidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate
CID 166534787
methyl (3S)-1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine-3-carboxylate
CID 164560750
methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate
CID 164560724
1-[5-[2-(3-fluorophenyl)ethynyl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 167135969
methyl 4-(3-fluoro-N-methylanilino)cyclohexane-1-carboxylate
CID 115149250
methyl 1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxylate
CID 164560717
[(1S)-1-(3-fluorophenyl)ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 94870749
1-[5-[2-(3-fluorophenyl)ethynyl]-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperidine-4-carboxylic acid
CID 164560712
[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802
methyl 1-[(S)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3-fluorophenyl)methyl]piperidine-4-carboxylate
CID 7293828

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate (CID 175582643) is methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate is COC(=O)C1CCN(C2CCc3cc(C(C)c4cccc(F)c4)ccc32)CC1.
What is the InChIKey of methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate?
The InChIKey is MQMPUKZSNBARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c1-16(18-4-3-5-21(25)15-18)19-6-8-22-20(14-19)7-9-23(22)26-12-10-17(11-13-26)24(27)28-2/h3-6,8,14-17,23H,7,9-13H2,1-2H3.
What are the key properties of methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate?
methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate has a molecular weight of 381.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxylate is sourced from PubChem (CID 175582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).