trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile

C17H28N4O2 — CID 124829759

IUPACtrans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1
InChIInChI=1S/C17H28N4O2/c18-12-14-2-1-3-15(10-14)19-16-11-17(22)21(13-16)5-4-20-6-8-23-9-7-20/h14-16,19H,1-11,13H2/t14-,15-,16+/m1/s1
InChIKeyTUDXTJRJNZJNAY-OAGGEKHMSA-N
MW320.44 g/mol
LogP0.59
Rot. Bonds5

About trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile

trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 124829759) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile
PubChem CID124829759
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametrans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1
InChIInChI=1S/C17H28N4O2/c18-12-14-2-1-3-15(10-14)19-16-11-17(22)21(13-16)5-4-20-6-8-23-9-7-20/h14-16,19H,1-11,13H2/t14-,15-,16+/m1/s1
InChIKeyTUDXTJRJNZJNAY-OAGGEKHMSA-N
XLogP0.59
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119890319
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
3-(cyclohexylamino)cyclohexane-1-carbonitrile
CID 66872054
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-3-carboxamide
CID 119890268
(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 164634851
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile
CID 117023155

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile (CID 124829759) is trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile is N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1.
What is the InChIKey of trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is TUDXTJRJNZJNAY-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H28N4O2/c18-12-14-2-1-3-15(10-14)19-16-11-17(22)21(13-16)5-4-20-6-8-23-9-7-20/h14-16,19H,1-11,13H2/t14-,15-,16+/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile?
trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 124829759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).