1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one

C19H26N2O — CID 19971007

IUPAC1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
SMILESCCC(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C19H26N2O/c1-3-16(22)6-4-14-5-7-19-17(12-14)18(13-20-19)15-8-10-21(2)11-9-15/h5,7,12-13,15,20H,3-4,6,8-11H2,1-2H3
InChIKeyMMLYSRGNOMUPSV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one

1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one (PubChem CID 19971007) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
PubChem CID19971007
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
SMILESCCC(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C19H26N2O/c1-3-16(22)6-4-14-5-7-19-17(12-14)18(13-20-19)15-8-10-21(2)11-9-15/h5,7,12-13,15,20H,3-4,6,8-11H2,1-2H3
InChIKeyMMLYSRGNOMUPSV-UHFFFAOYSA-N
XLogP3.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
CID 159347443
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
CID 70195086
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide
CID 45040003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one (CID 19971007) is 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one is CCC(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one?
The InChIKey is MMLYSRGNOMUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-16(22)6-4-14-5-7-19-17(12-14)18(13-20-19)15-8-10-21(2)11-9-15/h5,7,12-13,15,20H,3-4,6,8-11H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one?
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one has a molecular weight of 298.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one is sourced from PubChem (CID 19971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).