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

C28H36N4O2 — CID 59727722

IUPAC1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCCCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C28H36N4O2/c1-34-27-8-7-25(31-13-3-2-4-14-31)19-22(27)9-15-30-16-11-24(12-17-30)32-18-10-21-5-6-23(28(29)33)20-26(21)32/h5-8,10,18-20,24H,2-4,9,11-17H2,1H3,(H2,29,33)
InChIKeyWTSCYLNOFCMTMQ-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.62
Rot. Bonds7

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

1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727722) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727722
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCCCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C28H36N4O2/c1-34-27-8-7-25(31-13-3-2-4-14-31)19-22(27)9-15-30-16-11-24(12-17-30)32-18-10-21-5-6-23(28(29)33)20-26(21)32/h5-8,10,18-20,24H,2-4,9,11-17H2,1H3,(H2,29,33)
InChIKeyWTSCYLNOFCMTMQ-UHFFFAOYSA-N
XLogP4.62
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727722) is 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N2CCCCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is WTSCYLNOFCMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-34-27-8-7-25(31-13-3-2-4-14-31)19-22(27)9-15-30-16-11-24(12-17-30)32-18-10-21-5-6-23(28(29)33)20-26(21)32/h5-8,10,18-20,24H,2-4,9,11-17H2,1H3,(H2,29,33).
What are the key properties of 1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.62, 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-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).