(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone

C14H14Cl2N2O — CID 103427955

IUPAC(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)cc(Cl)c12)C1CCNCC1
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-11(16)13-10(7-18-12(13)6-9)14(19)8-1-3-17-4-2-8/h5-8,17-18H,1-4H2
InChIKeyWMLJYLIZXVXNGH-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.66
Rot. Bonds2

About (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone

(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone (PubChem CID 103427955) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
PubChem CID103427955
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)cc(Cl)c12)C1CCNCC1
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-11(16)13-10(7-18-12(13)6-9)14(19)8-1-3-17-4-2-8/h5-8,17-18H,1-4H2
InChIKeyWMLJYLIZXVXNGH-UHFFFAOYSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
CID 103427819
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone (CID 103427955) is (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone is O=C(c1c[nH]c2cc(Cl)cc(Cl)c12)C1CCNCC1.
What is the InChIKey of (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone?
The InChIKey is WMLJYLIZXVXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-9-5-11(16)13-10(7-18-12(13)6-9)14(19)8-1-3-17-4-2-8/h5-8,17-18H,1-4H2.
What are the key properties of (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone?
(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone has a molecular weight of 297.19 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 103427955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).