1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione

C23H23ClN2O4 — CID 118727765

IUPAC1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H23ClN2O4/c1-29-16-12-17-20(18(13-16)30-2)19(14-6-8-15(24)9-7-14)21(25-17)22(27)23(28)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
InChIKeyDIVXGQAFBPOLCM-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.70
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione

1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione (PubChem CID 118727765) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione
PubChem CID118727765
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H23ClN2O4/c1-29-16-12-17-20(18(13-16)30-2)19(14-6-8-15(24)9-7-14)21(25-17)22(27)23(28)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
InChIKeyDIVXGQAFBPOLCM-UHFFFAOYSA-N
XLogP4.70
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 7213262
2-chloro-1-pyrrolidin-1-yl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 62224814
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 119070273
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione
CID 82118303
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
CID 10731761
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 100951026
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione (CID 118727765) is 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione is COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is DIVXGQAFBPOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-29-16-12-17-20(18(13-16)30-2)19(14-6-8-15(24)9-7-14)21(25-17)22(27)23(28)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione?
1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 426.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 118727765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).