1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one

C18H23FN2O — CID 113087593

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-18(22)21-9-7-13(8-10-21)16-12-20-17-11-14(19)5-6-15(16)17/h5-6,11-13,20H,2-4,7-10H2,1H3
InChIKeyPKKLGVWMZWTWDX-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.20
Rot. Bonds4

About 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one (PubChem CID 113087593) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
PubChem CID113087593
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-18(22)21-9-7-13(8-10-21)16-12-20-17-11-14(19)5-6-15(16)17/h5-6,11-13,20H,2-4,7-10H2,1H3
InChIKeyPKKLGVWMZWTWDX-UHFFFAOYSA-N
XLogP4.20
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
4-[[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]butanoic acid
CID 167977981
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166248374
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one (CID 113087593) is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is PKKLGVWMZWTWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-2-3-4-18(22)21-9-7-13(8-10-21)16-12-20-17-11-14(19)5-6-15(16)17/h5-6,11-13,20H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one?
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 302.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 113087593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).