1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone

C20H22N2O2 — CID 134706619

IUPAC1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H22N2O2/c23-20(11-15-5-4-10-21-12-15)22-13-18(16-6-2-1-3-7-16)24-19(14-22)17-8-9-17/h1-7,10,12,17-19H,8-9,11,13-14H2/t18-,19+/m0/s1
InChIKeyFNNIDYDNLVBFJM-RBUKOAKNSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds4

About 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone

1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 134706619) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
PubChem CID134706619
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H22N2O2/c23-20(11-15-5-4-10-21-12-15)22-13-18(16-6-2-1-3-7-16)24-19(14-22)17-8-9-17/h1-7,10,12,17-19H,8-9,11,13-14H2/t18-,19+/m0/s1
InChIKeyFNNIDYDNLVBFJM-RBUKOAKNSA-N
XLogP3.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

2-[3-(2-aminoethoxy)phenyl]-1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethanone;hydrochloride
CID 155938808
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028
N-[3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 134701533
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 134700307
1-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-pyridin-3-ylethanone
CID 166617541
N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 133109861
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone (CID 134706619) is 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The InChIKey is FNNIDYDNLVBFJM-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(11-15-5-4-10-21-12-15)22-13-18(16-6-2-1-3-7-16)24-19(14-22)17-8-9-17/h1-7,10,12,17-19H,8-9,11,13-14H2/t18-,19+/m0/s1.
What are the key properties of 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone?
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 322.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 134706619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).