methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate

C22H25N3O2 — CID 134329597

IUPACmethyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N3O2/c1-13-10-17(11-14(2)24-13)21-20(22(26)27-3)18-12-16(4-5-19(18)25-21)15-6-8-23-9-7-15/h4-5,10-12,15,23,25H,6-9H2,1-3H3
InChIKeyGSPROTFTCLWGNZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds3

About methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate

methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate (PubChem CID 134329597) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate
PubChem CID134329597
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namemethyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N3O2/c1-13-10-17(11-14(2)24-13)21-20(22(26)27-3)18-12-16(4-5-19(18)25-21)15-6-8-23-9-7-15/h4-5,10-12,15,23,25H,6-9H2,1-3H3
InChIKeyGSPROTFTCLWGNZ-UHFFFAOYSA-N
XLogP4.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate (CID 134329597) is methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate is COC(=O)c1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate?
The InChIKey is GSPROTFTCLWGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-10-17(11-14(2)24-13)21-20(22(26)27-3)18-12-16(4-5-19(18)25-21)15-6-8-23-9-7-15/h4-5,10-12,15,23,25H,6-9H2,1-3H3.
What are the key properties of methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate?
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole-3-carboxylate is sourced from PubChem (CID 134329597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).