[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone

C20H26N2O2 — CID 113087329

IUPAC[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H26N2O2/c1-14-19(17-4-2-3-5-18(17)21-14)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-5,15-16,21H,6-13H2,1H3
InChIKeyJVYCFHRRXBOJED-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.61
Rot. Bonds2

About [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone

[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113087329) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID113087329
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H26N2O2/c1-14-19(17-4-2-3-5-18(17)21-14)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-5,15-16,21H,6-13H2,1H3
InChIKeyJVYCFHRRXBOJED-UHFFFAOYSA-N
XLogP3.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60552261
(2R)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 52537917
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 87042114
(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 171358988

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 113087329) is [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone is Cc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is JVYCFHRRXBOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-19(17-4-2-3-5-18(17)21-14)15-6-10-22(11-7-15)20(23)16-8-12-24-13-9-16/h2-5,15-16,21H,6-13H2,1H3.
What are the key properties of [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113087329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).