1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C23H26N4O3 — CID 89275540

IUPAC1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H26N4O3/c1-30-22-5-4-19(25-29)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(24)28)15-21(16)27/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,24,28)
InChIKeySLAQXPWJLUTOKO-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.03
Rot. Bonds7

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

1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 89275540) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID89275540
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H26N4O3/c1-30-22-5-4-19(25-29)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(24)28)15-21(16)27/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,24,28)
InChIKeySLAQXPWJLUTOKO-UHFFFAOYSA-N
XLogP4.03
TPSA89.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 89275540) is 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is SLAQXPWJLUTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-22-5-4-19(25-29)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(24)28)15-21(16)27/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,24,28).
What are the key properties of 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxy-5-nitrosophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 89275540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).