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

C27H32N4O3 — CID 59727797

IUPAC1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCCC2=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H32N4O3/c1-34-25-7-6-23(31-12-2-3-26(31)32)17-20(25)8-13-29-14-10-22(11-15-29)30-16-9-19-4-5-21(27(28)33)18-24(19)30/h4-7,9,16-18,22H,2-3,8,10-15H2,1H3,(H2,28,33)
InChIKeyPSLHDLXSKBKRFZ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.76
Rot. Bonds7

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

1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727797) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727797
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCCC2=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H32N4O3/c1-34-25-7-6-23(31-12-2-3-26(31)32)17-20(25)8-13-29-14-10-22(11-15-29)30-16-9-19-4-5-21(27(28)33)18-24(19)30/h4-7,9,16-18,22H,2-3,8,10-15H2,1H3,(H2,28,33)
InChIKeyPSLHDLXSKBKRFZ-UHFFFAOYSA-N
XLogP3.76
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727797) is 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N2CCCC2=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is PSLHDLXSKBKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-34-25-7-6-23(31-12-2-3-26(31)32)17-20(25)8-13-29-14-10-22(11-15-29)30-16-9-19-4-5-21(27(28)33)18-24(19)30/h4-7,9,16-18,22H,2-3,8,10-15H2,1H3,(H2,28,33).
What are the key properties of 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-methoxy-5-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).