4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one

C21H32N2O2 — CID 155504432

IUPAC4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-17(2)10-11-20(24)23-14-15-25-19(16-22-12-6-7-13-22)21(23)18-8-4-3-5-9-18/h3-5,8-9,17,19,21H,6-7,10-16H2,1-2H3/t19-,21-/m0/s1
InChIKeyJNLFDUZMBGIDCO-FPOVZHCZSA-N
MW344.50 g/mol
LogP3.49
Rot. Bonds6

About 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one

4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one (PubChem CID 155504432) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
PubChem CID155504432
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-17(2)10-11-20(24)23-14-15-25-19(16-22-12-6-7-13-22)21(23)18-8-4-3-5-9-18/h3-5,8-9,17,19,21H,6-7,10-16H2,1-2H3/t19-,21-/m0/s1
InChIKeyJNLFDUZMBGIDCO-FPOVZHCZSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 155507756
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155506908
3-(2-ethylimidazol-1-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155493847
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
CID 155499136

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one (CID 155504432) is 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one is CC(C)CCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one?
The InChIKey is JNLFDUZMBGIDCO-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17(2)10-11-20(24)23-14-15-25-19(16-22-12-6-7-13-22)21(23)18-8-4-3-5-9-18/h3-5,8-9,17,19,21H,6-7,10-16H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one?
4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one has a molecular weight of 344.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 155504432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).