ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

C21H28ClN3O3 — CID 56642746

IUPACethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(N3C(=O)Cc4cc(Cl)ccc43)CC2)CC1
InChIInChI=1S/C21H28ClN3O3/c1-2-28-21(27)24-11-5-17(6-12-24)23-9-7-18(8-10-23)25-19-4-3-16(22)13-15(19)14-20(25)26/h3-4,13,17-18H,2,5-12,14H2,1H3
InChIKeyGCNIMONEBOEEKK-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.31
Rot. Bonds3

About ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 56642746) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID56642746
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Nameethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(N3C(=O)Cc4cc(Cl)ccc43)CC2)CC1
InChIInChI=1S/C21H28ClN3O3/c1-2-28-21(27)24-11-5-17(6-12-24)23-9-7-18(8-10-23)25-19-4-3-16(22)13-15(19)14-20(25)26/h3-4,13,17-18H,2,5-12,14H2,1H3
InChIKeyGCNIMONEBOEEKK-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-(2,4-dichlorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110581690
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
ethyl 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidine-1-carboxylate
CID 15181465
ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 78318993
1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
CID 174598420
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl (1S,5S)-3-[[(3S)-3-(5-fluoro-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71724867
ethyl 4-[2-(aminomethyl)-4-chlorophenyl]piperazine-1-carboxylate
CID 107876779
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
ethyl 4-[[(2,4-dichlorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24789441
2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 56642746) is ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(N3C(=O)Cc4cc(Cl)ccc43)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GCNIMONEBOEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-2-28-21(27)24-11-5-17(6-12-24)23-9-7-18(8-10-23)25-19-4-3-16(22)13-15(19)14-20(25)26/h3-4,13,17-18H,2,5-12,14H2,1H3.
What are the key properties of ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 405.93 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 56642746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).