[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate

C24H32N4O4 — CID 68832093

IUPAC[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCN(C(=O)C(CC1CCc2ccccc21)OC(=O)N1CCOCC1)C1(C#N)CCNC1
InChIInChI=1S/C24H32N4O4/c1-2-28(24(16-25)9-10-26-17-24)22(29)21(32-23(30)27-11-13-31-14-12-27)15-19-8-7-18-5-3-4-6-20(18)19/h3-6,19,21,26H,2,7-15,17H2,1H3
InChIKeyOXUXWKKRWVGOLI-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.05
Rot. Bonds6

About [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate

[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate (PubChem CID 68832093) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
PubChem CID68832093
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCN(C(=O)C(CC1CCc2ccccc21)OC(=O)N1CCOCC1)C1(C#N)CCNC1
InChIInChI=1S/C24H32N4O4/c1-2-28(24(16-25)9-10-26-17-24)22(29)21(32-23(30)27-11-13-31-14-12-27)15-19-8-7-18-5-3-4-6-20(18)19/h3-6,19,21,26H,2,7-15,17H2,1H3
InChIKeyOXUXWKKRWVGOLI-UHFFFAOYSA-N
XLogP2.05
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582067
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68829283
N-[1-[(3-cyanopyrrolidin-3-yl)-(1-phenylethyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 172791958
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582068
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl] morpholine-4-carboxylate
CID 10162619
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-3-naphthalen-1-yl-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90918043
N-[(3-cyanopyrrolidin-3-yl)-(3,3-dimethylbutyl)carbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 70067679
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582104
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(4,8-dimethylspiro[2.5]octan-6-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68833474
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230

Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate (CID 68832093) is [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate is CCN(C(=O)C(CC1CCc2ccccc21)OC(=O)N1CCOCC1)C1(C#N)CCNC1.
What is the InChIKey of [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is OXUXWKKRWVGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-2-28(24(16-25)9-10-26-17-24)22(29)21(32-23(30)27-11-13-31-14-12-27)15-19-8-7-18-5-3-4-6-20(18)19/h3-6,19,21,26H,2,7-15,17H2,1H3.
What are the key properties of [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
[1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyanopyrrolidin-3-yl)-ethylamino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 68832093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).