2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone

C18H24N2O — CID 7735516

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c2c1
InChIInChI=1S/C18H24N2O/c1-12-4-5-17-15(7-12)16(8-19-17)18(21)11-20-9-13(2)6-14(3)10-20/h4-5,7-8,13-14,19H,6,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyHNRFCWZHAGGJBO-KBPBESRZSA-N
MW284.40 g/mol
LogP3.64
Rot. Bonds3

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone (PubChem CID 7735516) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
PubChem CID7735516
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c2c1
InChIInChI=1S/C18H24N2O/c1-12-4-5-17-15(7-12)16(8-19-17)18(21)11-20-9-13(2)6-14(3)10-20/h4-5,7-8,13-14,19H,6,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyHNRFCWZHAGGJBO-KBPBESRZSA-N
XLogP3.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 2013269
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 82053182
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
CID 55220154
1-(5-methyl-1H-indol-3-yl)-3-piperidin-1-ium-4-ylpropan-1-one chloride
CID 159675036
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone (CID 7735516) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone is Cc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c2c1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is HNRFCWZHAGGJBO-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-4-5-17-15(7-12)16(8-19-17)18(21)11-20-9-13(2)6-14(3)10-20/h4-5,7-8,13-14,19H,6,9-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7735516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).