1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

C22H32N2O3 — CID 95772472

IUPAC1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESC[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C22H32N2O3/c1-18-16-23(17-20(27-18)19-7-3-2-4-8-19)21(25)15-22(9-5-6-10-22)24-11-13-26-14-12-24/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t18-,20-/m1/s1
InChIKeyDGDQFYRHIKHIAK-UYAOXDASSA-N
MW372.51 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 95772472) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID95772472
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESC[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C22H32N2O3/c1-18-16-23(17-20(27-18)19-7-3-2-4-8-19)21(25)15-22(9-5-6-10-22)24-11-13-26-14-12-24/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t18-,20-/m1/s1
InChIKeyDGDQFYRHIKHIAK-UYAOXDASSA-N
XLogP3.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95583708
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95772464
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 52535688
1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 119488084
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 94975517
(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 99804748
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 154741387
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (CID 95772472) is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is DGDQFYRHIKHIAK-UYAOXDASSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-18-16-23(17-20(27-18)19-7-3-2-4-8-19)21(25)15-22(9-5-6-10-22)24-11-13-26-14-12-24/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t18-,20-/m1/s1.
What are the key properties of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 372.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 95772472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).