N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide

C20H25N3O4 — CID 166414228

IUPACN-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCC(C3(C)COC(=O)N3)CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-17(24)22(3)16-7-5-14(6-8-16)18(25)23-11-9-15(10-12-23)20(2)13-27-19(26)21-20/h4-8,15H,1,9-13H2,2-3H3,(H,21,26)
InChIKeyKUKXFXINALFIHS-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.19
Rot. Bonds4

About N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide

N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166414228) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166414228
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCC(C3(C)COC(=O)N3)CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-17(24)22(3)16-7-5-14(6-8-16)18(25)23-11-9-15(10-12-23)20(2)13-27-19(26)21-20/h4-8,15H,1,9-13H2,2-3H3,(H,21,26)
InChIKeyKUKXFXINALFIHS-UHFFFAOYSA-N
XLogP2.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[methyl(prop-2-enoyl)amino]benzoyl]piperidin-4-yl]morpholine-4-carboxamide
CID 166413444
N-[4-[(3aR,6aS)-2-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-N-methylprop-2-enamide
CID 167884693
N-methyl-N-[4-[4-(4-methylpentanoyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166413857
N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 167918351
N-[4-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]-N-methylprop-2-enamide
CID 166413474
N-[4-[3-(difluoromethoxy)piperidine-1-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166413995
N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide
CID 166413553
N-methyl-N-[4-(2-methyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 167870787
N-methyl-N-[4-[3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166413867
N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166416087
methyl 2-[4-[methyl(prop-2-enoyl)amino]benzoyl]-5-oxa-2-azaspiro[3.4]oct-7-ene-7-carboxylate
CID 166413739
N-[4-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166413641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 166414228) is N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)N(C)c1ccc(C(=O)N2CCC(C3(C)COC(=O)N3)CC2)cc1.
What is the InChIKey of N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is KUKXFXINALFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-17(24)22(3)16-7-5-14(6-8-16)18(25)23-11-9-15(10-12-23)20(2)13-27-19(26)21-20/h4-8,15H,1,9-13H2,2-3H3,(H,21,26).
What are the key properties of N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 371.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166414228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).