(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C20H18Cl2N2O — CID 84558891

IUPAC(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18Cl2N2O/c21-17-6-5-14(11-18(17)22)20(25)24-9-7-13(8-10-24)16-12-23-19-4-2-1-3-15(16)19/h1-6,11-13,23H,7-10H2
InChIKeyLLUQOHZAXPBESH-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.49
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 84558891) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID84558891
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC Name(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18Cl2N2O/c21-17-6-5-14(11-18(17)22)20(25)24-9-7-13(8-10-24)16-12-23-19-4-2-1-3-15(16)19/h1-6,11-13,23H,7-10H2
InChIKeyLLUQOHZAXPBESH-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-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 24599133
3-(3,4-dichlorophenyl)-1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 70166096
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 78836013
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24622694
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 55823602

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 84558891) is (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LLUQOHZAXPBESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c21-17-6-5-14(11-18(17)22)20(25)24-9-7-13(8-10-24)16-12-23-19-4-2-1-3-15(16)19/h1-6,11-13,23H,7-10H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]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 (3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84558891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).