[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone

C20H18Cl2N2O — CID 84579149

IUPAC[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C20H18Cl2N2O/c21-16-3-1-2-14(10-16)20(25)24-8-6-13(7-9-24)19-12-15-11-17(22)4-5-18(15)23-19/h1-5,10-13,23H,6-9H2
InChIKeyGIGJDXWBIKWUTE-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.49
Rot. Bonds2

About [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone

[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 84579149) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID84579149
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC Name[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C20H18Cl2N2O/c21-16-3-1-2-14(10-16)20(25)24-8-6-13(7-9-24)19-12-15-11-17(22)4-5-18(15)23-19/h1-5,10-13,23H,6-9H2
InChIKeyGIGJDXWBIKWUTE-UHFFFAOYSA-N
XLogP5.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 84582617
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (CID 84579149) is [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is GIGJDXWBIKWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c21-16-3-1-2-14(10-16)20(25)24-8-6-13(7-9-24)19-12-15-11-17(22)4-5-18(15)23-19/h1-5,10-13,23H,6-9H2.
What are the key properties of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 373.28 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 84579149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).