2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C23H29N3O — CID 134329836

IUPAC2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCOc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3
InChIKeyRUCOQCQFEYHVOI-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.14
Rot. Bonds4

About 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329836) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329836
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCOc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3
InChIKeyRUCOQCQFEYHVOI-UHFFFAOYSA-N
XLogP5.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329836) is 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is RUCOQCQFEYHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3.
What are the key properties of 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 363.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).