(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

C20H28N2O2 — CID 25210768

IUPAC(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-5-6-17-16(11-13)14(2)18(21-17)19(23)22-9-7-15(8-10-22)12-20(3,4)24/h5-6,11,15,21,24H,7-10,12H2,1-4H3
InChIKeyLHIOQIJQDSAMED-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.80
Rot. Bonds3

About (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 25210768) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
PubChem CID25210768
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-5-6-17-16(11-13)14(2)18(21-17)19(23)22-9-7-15(8-10-22)12-20(3,4)24/h5-6,11,15,21,24H,7-10,12H2,1-4H3
InChIKeyLHIOQIJQDSAMED-UHFFFAOYSA-N
XLogP3.80
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
(3-bromo-5-butoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848312
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70743647
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (CID 25210768) is (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is LHIOQIJQDSAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-5-6-17-16(11-13)14(2)18(21-17)19(23)22-9-7-15(8-10-22)12-20(3,4)24/h5-6,11,15,21,24H,7-10,12H2,1-4H3.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25210768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).