[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

C21H27N3O2 — CID 51128572

IUPAC[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-15-7-11-23(12-8-15)21(26)18-3-2-10-24(14-18)20(25)17-5-4-16-6-9-22-19(16)13-17/h4-6,9,13,15,18,22H,2-3,7-8,10-12,14H2,1H3
InChIKeyHMILLXHFLROITH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.28
Rot. Bonds2

About [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 51128572) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID51128572
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-15-7-11-23(12-8-15)21(26)18-3-2-10-24(14-18)20(25)17-5-4-16-6-9-22-19(16)13-17/h4-6,9,13,15,18,22H,2-3,7-8,10-12,14H2,1H3
InChIKeyHMILLXHFLROITH-UHFFFAOYSA-N
XLogP3.28
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933
1-[(3S)-1-[6-(1H-indol-6-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95228280
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 51128572) is [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CC1.
What is the InChIKey of [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HMILLXHFLROITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-7-11-23(12-8-15)21(26)18-3-2-10-24(14-18)20(25)17-5-4-16-6-9-22-19(16)13-17/h4-6,9,13,15,18,22H,2-3,7-8,10-12,14H2,1H3.
What are the key properties of [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 51128572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).