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

C22H23N3O3 — CID 76852374

IUPACN-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-2-5-18(6-3-15)28-19-9-12-25(13-10-19)22(27)21(26)24-17-4-7-20-16(14-17)8-11-23-20/h2-8,11,14,19,23H,9-10,12-13H2,1H3,(H,24,26)
InChIKeySBDHBDVSWQWCQS-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.48
Rot. Bonds3

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

N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (PubChem CID 76852374) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
PubChem CID76852374
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-2-5-18(6-3-15)28-19-9-12-25(13-10-19)22(27)21(26)24-17-4-7-20-16(14-17)8-11-23-20/h2-8,11,14,19,23H,9-10,12-13H2,1H3,(H,24,26)
InChIKeySBDHBDVSWQWCQS-UHFFFAOYSA-N
XLogP3.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (CID 76852374) is N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is SBDHBDVSWQWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-2-5-18(6-3-15)28-19-9-12-25(13-10-19)22(27)21(26)24-17-4-7-20-16(14-17)8-11-23-20/h2-8,11,14,19,23H,9-10,12-13H2,1H3,(H,24,26).
What are the key properties of N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 377.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 76852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).