ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate

C22H31N3O3 — CID 134431901

IUPACethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CCN(C2CCC3(CC2)C(=O)Nc2ccccc23)CC1
InChIInChI=1S/C22H31N3O3/c1-2-28-21(27)23-15-16-9-13-25(14-10-16)17-7-11-22(12-8-17)18-5-3-4-6-19(18)24-20(22)26/h3-6,16-17H,2,7-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyNHBAFCAPOAEEEF-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.28
Rot. Bonds4

About ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate

ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 134431901) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
PubChem CID134431901
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nameethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CCN(C2CCC3(CC2)C(=O)Nc2ccccc23)CC1
InChIInChI=1S/C22H31N3O3/c1-2-28-21(27)23-15-16-9-13-25(14-10-16)17-7-11-22(12-8-17)18-5-3-4-6-19(18)24-20(22)26/h3-6,16-17H,2,7-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyNHBAFCAPOAEEEF-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

(2S)-3-cyclohexyl-1-oxo-1-(piperidin-1-yl)propan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648386
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
Amedalin
CID 31075
tert-butyl (2'S,3S)-2-oxo-2'-(3-phenylphenyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 162671542
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
(2R)-2-(cyclohexylmethyl)-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 11259697
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11515799
3-ethyl-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
CID 11524003
1-cyclohexylmethyl-1''-cyclooctylmethylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982526
Methyl 2-[1'-[(4-tert-butylcyclohexyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982795

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate (CID 134431901) is ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate is CCOC(=O)NCC1CCN(C2CCC3(CC2)C(=O)Nc2ccccc23)CC1.
What is the InChIKey of ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is NHBAFCAPOAEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-28-21(27)23-15-16-9-13-25(14-10-16)17-7-11-22(12-8-17)18-5-3-4-6-19(18)24-20(22)26/h3-6,16-17H,2,7-15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate?
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 385.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 134431901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).