cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

C18H21FN2O — CID 113087422

IUPACcyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H21FN2O/c19-14-4-5-17-15(10-14)16(11-20-17)12-6-8-21(9-7-12)18(22)13-2-1-3-13/h4-5,10-13,20H,1-3,6-9H2
InChIKeyPCCOMBVGYHMIIT-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.81
Rot. Bonds2

About cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 113087422) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID113087422
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Namecyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H21FN2O/c19-14-4-5-17-15(10-14)16(11-20-17)12-6-8-21(9-7-12)18(22)13-2-1-3-13/h4-5,10-13,20H,1-3,6-9H2
InChIKeyPCCOMBVGYHMIIT-UHFFFAOYSA-N
XLogP3.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone (CID 113087422) is cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is PCCOMBVGYHMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-14-4-5-17-15(10-14)16(11-20-17)12-6-8-21(9-7-12)18(22)13-2-1-3-13/h4-5,10-13,20H,1-3,6-9H2.
What are the key properties of cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 300.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113087422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).