1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

C22H30N4O2 — CID 55559402

IUPAC1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C22H30N4O2/c1-17-6-7-18-15-20(23-19(18)14-17)22(28)26-12-10-24(11-13-26)16-21(27)25-8-4-2-3-5-9-25/h6-7,14-15,23H,2-5,8-13,16H2,1H3
InChIKeyULKPIFDSQBQDJV-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.64
Rot. Bonds3

About 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55559402) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID55559402
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C22H30N4O2/c1-17-6-7-18-15-20(23-19(18)14-17)22(28)26-12-10-24(11-13-26)16-21(27)25-8-4-2-3-5-9-25/h6-7,14-15,23H,2-5,8-13,16H2,1H3
InChIKeyULKPIFDSQBQDJV-UHFFFAOYSA-N
XLogP2.64
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 42947189
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
CID 146125832
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 122571045
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
formic acid;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 154910271
1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone
CID 167860010

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (CID 55559402) is 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)[nH]c2c1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ULKPIFDSQBQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-6-7-18-15-20(23-19(18)14-17)22(28)26-12-10-24(11-13-26)16-21(27)25-8-4-2-3-5-9-25/h6-7,14-15,23H,2-5,8-13,16H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55559402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).