3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione

C24H27N3O3 — CID 170328807

IUPAC3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione
SMILESCCCN(CC1CC1)c1ccc2c3c(cccc13)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C24H27N3O3/c1-3-13-26(14-15-7-8-15)18-10-9-17-22-16(18)5-4-6-19(22)27(23(17)29)20-11-12-21(28)25(2)24(20)30/h4-6,9-10,15,20H,3,7-8,11-14H2,1-2H3
InChIKeyMDNCPCHFLLIGSS-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.57
Rot. Bonds6

About 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione

3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione (PubChem CID 170328807) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione
PubChem CID170328807
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione
SMILESCCCN(CC1CC1)c1ccc2c3c(cccc13)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C24H27N3O3/c1-3-13-26(14-15-7-8-15)18-10-9-17-22-16(18)5-4-6-19(22)27(23(17)29)20-11-12-21(28)25(2)24(20)30/h4-6,9-10,15,20H,3,7-8,11-14H2,1-2H3
InChIKeyMDNCPCHFLLIGSS-UHFFFAOYSA-N
XLogP3.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione (CID 170328807) is 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione is CCCN(CC1CC1)c1ccc2c3c(cccc13)N(C1CCC(=O)N(C)C1=O)C2=O.
What is the InChIKey of 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione?
The InChIKey is MDNCPCHFLLIGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-13-26(14-15-7-8-15)18-10-9-17-22-16(18)5-4-6-19(22)27(23(17)29)20-11-12-21(28)25(2)24(20)30/h4-6,9-10,15,20H,3,7-8,11-14H2,1-2H3.
What are the key properties of 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione?
3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione has a molecular weight of 405.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[cyclopropylmethyl(propyl)amino]-2-oxobenzo[cd]indol-1-yl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 170328807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).