N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide

C23H25N3O3 — CID 146296925

IUPACN-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-3-6-19(7-4-16)29-20-10-13-26(14-11-20)23(28)22(27)24-18-5-8-21-17(15-18)9-12-25(21)2/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,24,27)
InChIKeyKJJUEXCVSDLJPD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.50
Rot. Bonds3

About N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide

N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (PubChem CID 146296925) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
PubChem CID146296925
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-3-6-19(7-4-16)29-20-10-13-26(14-11-20)23(28)22(27)24-18-5-8-21-17(15-18)9-12-25(21)2/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,24,27)
InChIKeyKJJUEXCVSDLJPD-UHFFFAOYSA-N
XLogP3.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (CID 146296925) is N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1.
What is the InChIKey of N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is KJJUEXCVSDLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-3-6-19(7-4-16)29-20-10-13-26(14-11-20)23(28)22(27)24-18-5-8-21-17(15-18)9-12-25(21)2/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 146296925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).