2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one

C17H21ClN2O — CID 113210447

IUPAC2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H21ClN2O/c1-17(2,16(21)20-8-4-3-5-9-20)14-11-19-15-10-12(18)6-7-13(14)15/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyYFONTFVPGBQIGS-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.11
Rot. Bonds2

About 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one

2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 113210447) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID113210447
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H21ClN2O/c1-17(2,16(21)20-8-4-3-5-9-20)14-11-19-15-10-12(18)6-7-13(14)15/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyYFONTFVPGBQIGS-UHFFFAOYSA-N
XLogP4.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
2-(5-chloro-1H-indol-3-yl)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 113210074
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 113210455
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210529
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 113210482
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one (CID 113210447) is 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)(C(=O)N1CCCCC1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is YFONTFVPGBQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2,16(21)20-8-4-3-5-9-20)14-11-19-15-10-12(18)6-7-13(14)15/h6-7,10-11,19H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one?
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 304.82 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113210447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).