2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone

C24H25ClN2O3 — CID 7964055

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2c(c1)c(CC(=O)N1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3/c1-16-20(15-23(28)26-12-4-3-5-13-26)21-14-19(30-2)10-11-22(21)27(16)24(29)17-6-8-18(25)9-7-17/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyCGDNGUNKHWRLQQ-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.86
Rot. Bonds4

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone (PubChem CID 7964055) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone
PubChem CID7964055
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2c(c1)c(CC(=O)N1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3/c1-16-20(15-23(28)26-12-4-3-5-13-26)21-14-19(30-2)10-11-22(21)27(16)24(29)17-6-8-18(25)9-7-17/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyCGDNGUNKHWRLQQ-UHFFFAOYSA-N
XLogP4.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone (CID 7964055) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone is COc1ccc2c(c1)c(CC(=O)N1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone?
The InChIKey is CGDNGUNKHWRLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-16-20(15-23(28)26-12-4-3-5-13-26)21-14-19(30-2)10-11-22(21)27(16)24(29)17-6-8-18(25)9-7-17/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone has a molecular weight of 424.93 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 7964055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).