[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C18H26N2O2 — CID 95157617

IUPAC[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O2/c1-14-11-19(12-15(2)22-14)13-17-9-6-10-20(17)18(21)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyWNXXANBNZLTTQH-UXLLHSPISA-N
MW302.42 g/mol
LogP2.40
Rot. Bonds3

About [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 95157617) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID95157617
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O2/c1-14-11-19(12-15(2)22-14)13-17-9-6-10-20(17)18(21)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyWNXXANBNZLTTQH-UXLLHSPISA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
[3-(dimethylamino)phenyl]-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100836672
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
(3,4-difluorophenyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 51094368
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100849937
N-[3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 47800118
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 52511950
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 95157617) is [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is WNXXANBNZLTTQH-UXLLHSPISA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-11-19(12-15(2)22-14)13-17-9-6-10-20(17)18(21)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t14-,15+,17-/m0/s1.
What are the key properties of [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95157617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).