1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

C27H31N3O4 — CID 141236569

IUPAC1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cc2c(cc1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)C(=O)CC(C)O2
InChIInChI=1S/C27H31N3O4/c1-17-13-24(31)22-14-19(25(33-2)16-26(22)34-17)5-9-29-10-7-21(8-11-29)30-12-6-18-3-4-20(27(28)32)15-23(18)30/h3-4,6,12,14-17,21H,5,7-11,13H2,1-2H3,(H2,28,32)
InChIKeyXYOMCZBTMMUONM-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.98
Rot. Bonds6

About 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 141236569) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID141236569
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cc2c(cc1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)C(=O)CC(C)O2
InChIInChI=1S/C27H31N3O4/c1-17-13-24(31)22-14-19(25(33-2)16-26(22)34-17)5-9-29-10-7-21(8-11-29)30-12-6-18-3-4-20(27(28)32)15-23(18)30/h3-4,6,12,14-17,21H,5,7-11,13H2,1-2H3,(H2,28,32)
InChIKeyXYOMCZBTMMUONM-UHFFFAOYSA-N
XLogP3.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 141236569) is 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1cc2c(cc1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)C(=O)CC(C)O2.
What is the InChIKey of 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is XYOMCZBTMMUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-17-13-24(31)22-14-19(25(33-2)16-26(22)34-17)5-9-29-10-7-21(8-11-29)30-12-6-18-3-4-20(27(28)32)15-23(18)30/h3-4,6,12,14-17,21H,5,7-11,13H2,1-2H3,(H2,28,32).
What are the key properties of 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 141236569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).