(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone

C22H20Cl2N2O3 — CID 55957029

IUPAC(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C22H20Cl2N2O3/c1-29-16-4-2-14-11-20(25-19(14)12-16)22(28)26-8-6-13(7-9-26)21(27)15-3-5-17(23)18(24)10-15/h2-5,10-13,25H,6-9H2,1H3
InChIKeyLVIAPEHFIVXFCR-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.22
Rot. Bonds4

About (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 55957029) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
PubChem CID55957029
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C22H20Cl2N2O3/c1-29-16-4-2-14-11-20(25-19(14)12-16)22(28)26-8-6-13(7-9-26)21(27)15-3-5-17(23)18(24)10-15/h2-5,10-13,25H,6-9H2,1H3
InChIKeyLVIAPEHFIVXFCR-UHFFFAOYSA-N
XLogP5.22
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 154749753
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(3,4-dichlorophenyl)-[1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]methanone
CID 55956890
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33366935
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799041
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone (CID 55957029) is (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone is COc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is LVIAPEHFIVXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-29-16-4-2-14-11-20(25-19(14)12-16)22(28)26-8-6-13(7-9-26)21(27)15-3-5-17(23)18(24)10-15/h2-5,10-13,25H,6-9H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 431.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55957029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).