1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone

C18H26N2O2 — CID 97110715

IUPAC1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1(C)CN(C(=O)CN2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2)14-20(12-16(18)15-6-4-3-5-7-15)17(21)13-19-8-10-22-11-9-19/h3-7,16H,8-14H2,1-2H3/t16-/m1/s1
InChIKeyXHAZEFGWNSDCLS-MRXNPFEDSA-N
MW302.42 g/mol
LogP1.97
Rot. Bonds3

About 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 97110715) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID97110715
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1(C)CN(C(=O)CN2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2)14-20(12-16(18)15-6-4-3-5-7-15)17(21)13-19-8-10-22-11-9-19/h3-7,16H,8-14H2,1-2H3/t16-/m1/s1
InChIKeyXHAZEFGWNSDCLS-MRXNPFEDSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone
CID 71760035
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
CID 97143928
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
(4R)-1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 30449204
1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 5143048
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]propan-1-one
CID 126435881
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434334
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 97110715) is 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone is CC1(C)CN(C(=O)CN2CCOCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is XHAZEFGWNSDCLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)14-20(12-16(18)15-6-4-3-5-7-15)17(21)13-19-8-10-22-11-9-19/h3-7,16H,8-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 97110715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).