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

C23H29N3 — CID 134329874

IUPAC6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3
InChIKeyJYTJDXWOLBKZIK-UHFFFAOYSA-N
MW347.51 g/mol
LogP5.44
Rot. Bonds3

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

6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329874) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329874
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3
InChIKeyJYTJDXWOLBKZIK-UHFFFAOYSA-N
XLogP5.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329874) is 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3cc(C)c(C4CCNCC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is JYTJDXWOLBKZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3.
What are the key properties of 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 347.51 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).