1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C25H30N4O3 — CID 59727911

IUPAC1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H30N4O3/c1-17(30)27-21-5-6-24(32-2)19(15-21)7-11-28-12-9-22(10-13-28)29-14-8-18-3-4-20(25(26)31)16-23(18)29/h3-6,8,14-16,22H,7,9-13H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyQHKYLWLYKOKIBB-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.59
Rot. Bonds7

About 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727911) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727911
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H30N4O3/c1-17(30)27-21-5-6-24(32-2)19(15-21)7-11-28-12-9-22(10-13-28)29-14-8-18-3-4-20(25(26)31)16-23(18)29/h3-6,8,14-16,22H,7,9-13H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyQHKYLWLYKOKIBB-UHFFFAOYSA-N
XLogP3.59
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727911) is 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(NC(C)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is QHKYLWLYKOKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(30)27-21-5-6-24(32-2)19(15-21)7-11-28-12-9-22(10-13-28)29-14-8-18-3-4-20(25(26)31)16-23(18)29/h3-6,8,14-16,22H,7,9-13H2,1-2H3,(H2,26,31)(H,27,30).
What are the key properties of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).