1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one

C24H33N3O2 — CID 167957610

IUPAC1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
SMILESCCN1CCC(N2CCC(C(=O)N3CC4CCC(=O)c5cccc3c54)CC2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-25-12-10-19(11-13-25)26-14-8-17(9-15-26)24(29)27-16-18-6-7-22(28)20-4-3-5-21(27)23(18)20/h3-5,17-19H,2,6-16H2,1H3
InChIKeyWJWMGZQSOIFJEY-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.29
Rot. Bonds3

About 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one

1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one (PubChem CID 167957610) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one.

Molecular Properties

Compound Name1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
PubChem CID167957610
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
SMILESCCN1CCC(N2CCC(C(=O)N3CC4CCC(=O)c5cccc3c54)CC2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-25-12-10-19(11-13-25)26-14-8-17(9-15-26)24(29)27-16-18-6-7-22(28)20-4-3-5-21(27)23(18)20/h3-5,17-19H,2,6-16H2,1H3
InChIKeyWJWMGZQSOIFJEY-UHFFFAOYSA-N
XLogP3.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one with MolForge

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Related Compounds

(E)-2-methyl-1,4-bis(5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indol-1-yl)but-2-ene-1,4-dione
CID 167879612
1-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167871523
(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide
CID 124617739
[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 167928129
1-[(3-hydroxycyclobutyl)methyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167982839
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881418
1-[2-(2-fluorophenyl)-3-oxopiperazine-1-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167942672
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174921139
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The IUPAC name of 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one (CID 167957610) is 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one.
What is the SMILES notation for 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The canonical SMILES for 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one is CCN1CCC(N2CCC(C(=O)N3CC4CCC(=O)c5cccc3c54)CC2)CC1.
What is the InChIKey of 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The InChIKey is WJWMGZQSOIFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-25-12-10-19(11-13-25)26-14-8-17(9-15-26)24(29)27-16-18-6-7-22(28)20-4-3-5-21(27)23(18)20/h3-5,17-19H,2,6-16H2,1H3.
What are the key properties of 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one has a molecular weight of 395.55 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one is sourced from PubChem (CID 167957610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).