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

C24H31N3 — CID 134330320

IUPAC5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)c(C)n1
InChIInChI=1S/C24H31N3/c1-14(2)23-21-13-19(18-8-10-25-11-9-18)6-7-22(21)27-24(23)20-12-15(3)26-17(5)16(20)4/h6-7,12-14,18,25,27H,8-11H2,1-5H3
InChIKeyOBRKVPBKOLUWIL-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.75
Rot. Bonds3

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

5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole (PubChem CID 134330320) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
PubChem CID134330320
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)c(C)n1
InChIInChI=1S/C24H31N3/c1-14(2)23-21-13-19(18-8-10-25-11-9-18)6-7-22(21)27-24(23)20-12-15(3)26-17(5)16(20)4/h6-7,12-14,18,25,27H,8-11H2,1-5H3
InChIKeyOBRKVPBKOLUWIL-UHFFFAOYSA-N
XLogP5.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
CID 164553568
7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594142
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745
6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole?
The IUPAC name of 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole (CID 134330320) is 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole.
What is the SMILES notation for 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole?
The canonical SMILES for 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)c(C)n1.
What is the InChIKey of 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole?
The InChIKey is OBRKVPBKOLUWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-14(2)23-21-13-19(18-8-10-25-11-9-18)6-7-22(21)27-24(23)20-12-15(3)26-17(5)16(20)4/h6-7,12-14,18,25,27H,8-11H2,1-5H3.
What are the key properties of 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole?
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole has a molecular weight of 361.53 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole is sourced from PubChem (CID 134330320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).