(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one

C19H26N2O — CID 11914434

IUPAC(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESCc1ccc2c(C(=O)[C@@H](C)N3CCCC[C@@H]3C)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-8-9-16-17(11-12)20-14(3)18(16)19(22)15(4)21-10-6-5-7-13(21)2/h8-9,11,13,15,20H,5-7,10H2,1-4H3/t13-,15+/m0/s1
InChIKeyRDMLYOKFAHPRQE-DZGCQCFKSA-N
MW298.43 g/mol
LogP4.23
Rot. Bonds3

About (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one

(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 11914434) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID11914434
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESCc1ccc2c(C(=O)[C@@H](C)N3CCCC[C@@H]3C)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-8-9-16-17(11-12)20-14(3)18(16)19(22)15(4)21-10-6-5-7-13(21)2/h8-9,11,13,15,20H,5-7,10H2,1-4H3/t13-,15+/m0/s1
InChIKeyRDMLYOKFAHPRQE-DZGCQCFKSA-N
XLogP4.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4271918
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 40797023
2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256338
1-(4-bromophenyl)-2-(2-methylpyrrolidin-1-yl)propan-1-one
CID 54882483
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
1-(2,6-dimethyl-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone
CID 2025983
3-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propanoic acid
CID 82133126

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one (CID 11914434) is (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one is Cc1ccc2c(C(=O)[C@@H](C)N3CCCC[C@@H]3C)c(C)[nH]c2c1.
What is the InChIKey of (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is RDMLYOKFAHPRQE-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H26N2O/c1-12-8-9-16-17(11-12)20-14(3)18(16)19(22)15(4)21-10-6-5-7-13(21)2/h8-9,11,13,15,20H,5-7,10H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 298.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 11914434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).