[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C19H28N2O3 — CID 120926045

IUPAC[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-13-4-5-17(12-14(13)2)24-16-6-9-21(10-7-16)19(22)18-15(3)23-11-8-20-18/h4-5,12,15-16,18,20H,6-11H2,1-3H3/t15-,18+/m1/s1
InChIKeyJTHPFJRAAGZOCD-QAPCUYQASA-N
MW332.44 g/mol
LogP2.05
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120926045) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120926045
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-13-4-5-17(12-14(13)2)24-16-6-9-21(10-7-16)19(22)18-15(3)23-11-8-20-18/h4-5,12,15-16,18,20H,6-11H2,1-3H3/t15-,18+/m1/s1
InChIKeyJTHPFJRAAGZOCD-QAPCUYQASA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone with MolForge

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Related Compounds

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120926032
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
[4-(cyclopropylmethoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120935599
4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
CID 56814296
[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120927171
2,5-dimethyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 120930813
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120926045) is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is Cc1ccc(OC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is JTHPFJRAAGZOCD-QAPCUYQASA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-4-5-17(12-14(13)2)24-16-6-9-21(10-7-16)19(22)18-15(3)23-11-8-20-18/h4-5,12,15-16,18,20H,6-11H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120926045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).