3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

C20H28N4O4 — CID 24671510

IUPAC3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H28N4O4/c1-14-18-15(3-2-4-16(18)25)21-19(14)20(27)24-7-5-23(6-8-24)17(26)13-22-9-11-28-12-10-22/h21H,2-13H2,1H3
InChIKeyMIIDAKBQVPKVQW-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.46
Rot. Bonds3

About 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 24671510) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID24671510
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H28N4O4/c1-14-18-15(3-2-4-16(18)25)21-19(14)20(27)24-7-5-23(6-8-24)17(26)13-22-9-11-28-12-10-22/h21H,2-13H2,1H3
InChIKeyMIIDAKBQVPKVQW-UHFFFAOYSA-N
XLogP0.46
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

3-methyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24545327
ethyl 2,4-dimethyl-5-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 43038546
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 51292516
3-methyl-2-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 34740755
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 32522716
3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24682704
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
CID 120814437
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212
4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 171912115
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one (CID 24671510) is 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is MIIDAKBQVPKVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14-18-15(3-2-4-16(18)25)21-19(14)20(27)24-7-5-23(6-8-24)17(26)13-22-9-11-28-12-10-22/h21H,2-13H2,1H3.
What are the key properties of 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one?
3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 388.47 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 24671510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).