(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one

C19H29N3O2 — CID 124830325

IUPAC(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H]1COCCN1CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O2/c1-16-15-24-13-12-21(16)11-10-20(2)18-8-9-22(19(18)23)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/t16-,18+/m1/s1
InChIKeyNGNDWUSRGRRUGW-AEFFLSMTSA-N
MW331.46 g/mol
LogP1.44
Rot. Bonds6

About (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one

(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one (PubChem CID 124830325) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one
PubChem CID124830325
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H]1COCCN1CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O2/c1-16-15-24-13-12-21(16)11-10-20(2)18-8-9-22(19(18)23)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/t16-,18+/m1/s1
InChIKeyNGNDWUSRGRRUGW-AEFFLSMTSA-N
XLogP1.44
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
CID 81582
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
3-(4-Benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2853692
1-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 11144455
3-(4-Methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 3842538
2-Morpholino-2-phenylacetamide
CID 97862
1-(4-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-5-oxoprolinamide
CID 3236574
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
N-[3-(Morpholin-4-YL)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 5309232
(2R,5R)-1-acetyl-2-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459711
3-(4-Benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877335

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one (CID 124830325) is (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one is C[C@@H]1COCCN1CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one?
The InChIKey is NGNDWUSRGRRUGW-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16-15-24-13-12-21(16)11-10-20(2)18-8-9-22(19(18)23)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one?
(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 124830325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).