cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone

C18H22FNO — CID 21461196

IUPACcyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H22FNO/c19-15-5-3-12-4-6-16(17(12)11-15)13-7-9-20(10-8-13)18(21)14-1-2-14/h3,5,11,13-14,16H,1-2,4,6-10H2
InChIKeyKLGAHEXYZFCKAF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.50
Rot. Bonds2

About cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone

cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone (PubChem CID 21461196) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone
PubChem CID21461196
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Namecyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H22FNO/c19-15-5-3-12-4-6-16(17(12)11-15)13-7-9-20(10-8-13)18(21)14-1-2-14/h3,5,11,13-14,16H,1-2,4,6-10H2
InChIKeyKLGAHEXYZFCKAF-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

SMARt751
CID 90254017
Cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
CID 53318241
3-[2-(3,4-Difluorophenyl)ethyl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 45175800
3-[2-(2,6-Difluorophenyl)ethyl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 45221251
1-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}propan-1-one
CID 53564114
1-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}-2-methylpropan-1-one
CID 53579470
1-(Cyclopropylcarbonyl)-4-{[3-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}piperidine
CID 72923993
cyclopropyl[(R)-3-(p-fluorophenyl)-1-azepanyl]methanone
CID 99902982
2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
CID 118739127
2-(5-Fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118739129
2-(1'-ethyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740882
N-(Cyclopropylmethyl)-2-(2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetamide
CID 118740888

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone (CID 21461196) is cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C2CCc3ccc(F)cc32)CC1.
What is the InChIKey of cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone?
The InChIKey is KLGAHEXYZFCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c19-15-5-3-12-4-6-16(17(12)11-15)13-7-9-20(10-8-13)18(21)14-1-2-14/h3,5,11,13-14,16H,1-2,4,6-10H2.
What are the key properties of cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone has a molecular weight of 287.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 21461196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).