[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone

C17H25N3O4 — CID 11508290

IUPAC[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone
SMILESCOc1ccc(N2CC[C@@H](N)[C@H](C(=O)N3CCOC3)C2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-22-15-4-3-12(9-16(15)23-2)19-6-5-14(18)13(10-19)17(21)20-7-8-24-11-20/h3-4,9,13-14H,5-8,10-11,18H2,1-2H3/t13-,14-/m1/s1
InChIKeyNDXXSIVOWPDXEI-ZIAGYGMSSA-N
MW335.40 g/mol
LogP0.67
Rot. Bonds4

About [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone

[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone (PubChem CID 11508290) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone
PubChem CID11508290
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone
SMILESCOc1ccc(N2CC[C@@H](N)[C@H](C(=O)N3CCOC3)C2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-22-15-4-3-12(9-16(15)23-2)19-6-5-14(18)13(10-19)17(21)20-7-8-24-11-20/h3-4,9,13-14H,5-8,10-11,18H2,1-2H3/t13-,14-/m1/s1
InChIKeyNDXXSIVOWPDXEI-ZIAGYGMSSA-N
XLogP0.67
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
4-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]butan-2-one
CID 83981248
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
CID 45255003
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 7244367
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone (CID 11508290) is [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone is COc1ccc(N2CC[C@@H](N)[C@H](C(=O)N3CCOC3)C2)cc1OC.
What is the InChIKey of [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone?
The InChIKey is NDXXSIVOWPDXEI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-22-15-4-3-12(9-16(15)23-2)19-6-5-14(18)13(10-19)17(21)20-7-8-24-11-20/h3-4,9,13-14H,5-8,10-11,18H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone?
[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 11508290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).