[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone

C20H22N2O2 — CID 134700307

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H22N2O2/c1-14-6-5-11-21-19(14)20(23)22-12-17(15-7-3-2-4-8-15)24-18(13-22)16-9-10-16/h2-8,11,16-18H,9-10,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyBNWHHLWWEBGWSP-ZWKOTPCHSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds3

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 134700307) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID134700307
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H22N2O2/c1-14-6-5-11-21-19(14)20(23)22-12-17(15-7-3-2-4-8-15)24-18(13-22)16-9-10-16/h2-8,11,16-18H,9-10,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyBNWHHLWWEBGWSP-ZWKOTPCHSA-N
XLogP3.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 134703515
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 134701126
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155505273
4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
CID 155507753
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 134706619
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134707536
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone (CID 134700307) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is BNWHHLWWEBGWSP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-6-5-11-21-19(14)20(23)22-12-17(15-7-3-2-4-8-15)24-18(13-22)16-9-10-16/h2-8,11,16-18H,9-10,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 134700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).