1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

C23H32N4O2 — CID 42947189

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cc(C(=O)N3CCN(CC(=O)N4CC(C)CC(C)C4)CC3)[nH]c2c1
InChIInChI=1S/C23H32N4O2/c1-16-4-5-19-12-21(24-20(19)11-16)23(29)26-8-6-25(7-9-26)15-22(28)27-13-17(2)10-18(3)14-27/h4-5,11-12,17-18,24H,6-10,13-15H2,1-3H3
InChIKeyVIVKBACDRCDNOY-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 42947189) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID42947189
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cc(C(=O)N3CCN(CC(=O)N4CC(C)CC(C)C4)CC3)[nH]c2c1
InChIInChI=1S/C23H32N4O2/c1-16-4-5-19-12-21(24-20(19)11-16)23(29)26-8-6-25(7-9-26)15-22(28)27-13-17(2)10-18(3)14-27/h4-5,11-12,17-18,24H,6-10,13-15H2,1-3H3
InChIKeyVIVKBACDRCDNOY-UHFFFAOYSA-N
XLogP2.74
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
2-[4-(2,3-dimethylbenzoyl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 51257088
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 25490308
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25437306
(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 102558162
[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 99811059
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 51257114
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (CID 42947189) is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc2cc(C(=O)N3CCN(CC(=O)N4CC(C)CC(C)C4)CC3)[nH]c2c1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VIVKBACDRCDNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-4-5-19-12-21(24-20(19)11-16)23(29)26-8-6-25(7-9-26)15-22(28)27-13-17(2)10-18(3)14-27/h4-5,11-12,17-18,24H,6-10,13-15H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 396.54 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42947189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).