[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone

C20H25N3O3 — CID 155506426

IUPAC[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C20H25N3O3/c1-22(2)14-17-19(15-7-5-4-6-8-15)23(11-12-26-17)20(24)16-9-10-21-18(13-16)25-3/h4-10,13,17,19H,11-12,14H2,1-3H3/t17-,19-/m0/s1
InChIKeyRLCPXQFRRAWLGD-HKUYNNGSSA-N
MW355.44 g/mol
LogP2.23
Rot. Bonds5

About [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 155506426) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID155506426
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C20H25N3O3/c1-22(2)14-17-19(15-7-5-4-6-8-15)23(11-12-26-17)20(24)16-9-10-21-18(13-16)25-3/h4-10,13,17,19H,11-12,14H2,1-3H3/t17-,19-/m0/s1
InChIKeyRLCPXQFRRAWLGD-HKUYNNGSSA-N
XLogP2.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(4-fluoro-3-hydroxyphenyl)methanone;formic acid
CID 155940242
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155495074
6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155494431
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
CID 155496283
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile
CID 171142054
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155505273
(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155504611

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone (CID 155506426) is [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)ccn1.
What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is RLCPXQFRRAWLGD-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(2)14-17-19(15-7-5-4-6-8-15)23(11-12-26-17)20(24)16-9-10-21-18(13-16)25-3/h4-10,13,17,19H,11-12,14H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 155506426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).