2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone

C30H42N6O5 — CID 157158653

IUPAC2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCC(=O)C3)CC1.CN1CCN(C(=O)c2cc3c([nH]2)CCC2(C3)OCCO2)CC1
InChIInChI=1S/C16H23N3O3.C14H19N3O2/c1-18-4-6-19(7-5-18)15(20)14-10-12-11-16(21-8-9-22-16)3-2-13(12)17-14;1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18)2-3-12(10)15-13/h10,17H,2-9,11H2,1H3;9,15H,2-8H2,1H3
InChIKeyAMCNWRYEBZBXKP-UHFFFAOYSA-N
MW566.70 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone

2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone (PubChem CID 157158653) has the molecular formula C30H42N6O5 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone
PubChem CID157158653
Molecular FormulaC30H42N6O5
Molecular Weight566.70 g/mol
Exact Mass566.32
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCC(=O)C3)CC1.CN1CCN(C(=O)c2cc3c([nH]2)CCC2(C3)OCCO2)CC1
InChIInChI=1S/C16H23N3O3.C14H19N3O2/c1-18-4-6-19(7-5-18)15(20)14-10-12-11-16(21-8-9-22-16)3-2-13(12)17-14;1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18)2-3-12(10)15-13/h10,17H,2-9,11H2,1H3;9,15H,2-8H2,1H3
InChIKeyAMCNWRYEBZBXKP-UHFFFAOYSA-N
XLogP1.09
TPSA114.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone with MolForge

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Related Compounds

2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;[2-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indol-5-yl] trifluoromethanesulfonate
CID 162062757
(5-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913120
(5-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-piperazin-1-ylmethanone
CID 68081582
(4-Methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone
CID 68083996
acetyl acetate;1-[2-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydroindol-1-yl]ethanone;(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 157211225
Ethyl spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-carboxylate;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone
CID 158097391
(5-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one
CID 158549977
(5-Methoxyimino-1,4,6,7-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one
CID 161305619
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]acetamide
CID 56360369

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone (CID 157158653) is 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone is CN1CCN(C(=O)c2cc3c([nH]2)CCC(=O)C3)CC1.CN1CCN(C(=O)c2cc3c([nH]2)CCC2(C3)OCCO2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone?
The InChIKey is AMCNWRYEBZBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.C14H19N3O2/c1-18-4-6-19(7-5-18)15(20)14-10-12-11-16(21-8-9-22-16)3-2-13(12)17-14;1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18)2-3-12(10)15-13/h10,17H,2-9,11H2,1H3;9,15H,2-8H2,1H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone?
2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone has a molecular weight of 566.70 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-1,4,6,7-tetrahydroindol-5-one;(4-methylpiperazin-1-yl)-spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindole]-2'-ylmethanone is sourced from PubChem (CID 157158653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).