5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

C29H39N3O — CID 134329430

IUPAC5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCOC(C)(C)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C29H39N3O/c1-19(2)27-25-17-22(6-7-26(25)31-28(27)23-8-12-30-20(3)16-23)21-9-13-32(14-10-21)24-11-15-33-29(4,5)18-24/h6-8,12,16-17,19,21,24,31H,9-11,13-15,18H2,1-5H3
InChIKeyIQAZPIBKKBFHSC-UHFFFAOYSA-N
MW445.65 g/mol
LogP6.80
Rot. Bonds4

About 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (PubChem CID 134329430) has the molecular formula C29H39N3O and a molecular weight of 445.65 g/mol. Its IUPAC name is 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
PubChem CID134329430
Molecular FormulaC29H39N3O
Molecular Weight445.65 g/mol
Exact Mass445.31
IUPAC Name5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCOC(C)(C)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C29H39N3O/c1-19(2)27-25-17-22(6-7-26(25)31-28(27)23-8-12-30-20(3)16-23)21-9-13-32(14-10-21)24-11-15-33-29(4,5)18-24/h6-8,12,16-17,19,21,24,31H,9-11,13-15,18H2,1-5H3
InChIKeyIQAZPIBKKBFHSC-UHFFFAOYSA-N
XLogP6.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330137
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide
CID 166655376
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
2,4,5-trimethyl-6-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridazin-3-one
CID 137464519
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The IUPAC name of 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (CID 134329430) is 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(C5CCOC(C)(C)C5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The InChIKey is IQAZPIBKKBFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O/c1-19(2)27-25-17-22(6-7-26(25)31-28(27)23-8-12-30-20(3)16-23)21-9-13-32(14-10-21)24-11-15-33-29(4,5)18-24/h6-8,12,16-17,19,21,24,31H,9-11,13-15,18H2,1-5H3.
What are the key properties of 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole has a molecular weight of 445.65 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).