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

C19H24N2O — CID 113087328

IUPACcyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H24N2O/c1-13-18(16-7-2-3-8-17(16)20-13)14-9-11-21(12-10-14)19(22)15-5-4-6-15/h2-3,7-8,14-15,20H,4-6,9-12H2,1H3
InChIKeyLPBFSRMENKWHDA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.98
Rot. Bonds2

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

cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 113087328) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID113087328
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Namecyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H24N2O/c1-13-18(16-7-2-3-8-17(16)20-13)14-9-11-21(12-10-14)19(22)15-5-4-6-15/h2-3,7-8,14-15,20H,4-6,9-12H2,1H3
InChIKeyLPBFSRMENKWHDA-UHFFFAOYSA-N
XLogP3.98
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
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-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
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-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60552261
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 60552262
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
(2R)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 52537917

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 113087328) is cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is Cc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LPBFSRMENKWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-18(16-7-2-3-8-17(16)20-13)14-9-11-21(12-10-14)19(22)15-5-4-6-15/h2-3,7-8,14-15,20H,4-6,9-12H2,1H3.
What are the key properties of cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 296.41 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113087328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).