1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one

C19H26N2O — CID 113088645

IUPAC1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C19H26N2O/c1-3-4-7-19(22)21-10-5-6-15(13-21)18-12-16-11-14(2)8-9-17(16)20-18/h8-9,11-12,15,20H,3-7,10,13H2,1-2H3
InChIKeyAOGUYSRXOOZKAC-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.37
Rot. Bonds4

About 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one

1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one (PubChem CID 113088645) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
PubChem CID113088645
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C19H26N2O/c1-3-4-7-19(22)21-10-5-6-15(13-21)18-12-16-11-14(2)8-9-17(16)20-18/h8-9,11-12,15,20H,3-7,10,13H2,1-2H3
InChIKeyAOGUYSRXOOZKAC-UHFFFAOYSA-N
XLogP4.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 42760296

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one (CID 113088645) is 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1.
What is the InChIKey of 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is AOGUYSRXOOZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-4-7-19(22)21-10-5-6-15(13-21)18-12-16-11-14(2)8-9-17(16)20-18/h8-9,11-12,15,20H,3-7,10,13H2,1-2H3.
What are the key properties of 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one?
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 298.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 113088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).