4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide

C23H28N4O4 — CID 18226822

IUPAC4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C(C)ON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-17(22(28)24-16-18-8-6-7-11-21(18)30-2)31-26-20-12-14-27(15-13-20)23(29)25-19-9-4-3-5-10-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyYSUMBQLVKVUVGI-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.40
Rot. Bonds7

About 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide

4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide (PubChem CID 18226822) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
PubChem CID18226822
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C(C)ON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-17(22(28)24-16-18-8-6-7-11-21(18)30-2)31-26-20-12-14-27(15-13-20)23(29)25-19-9-4-3-5-10-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyYSUMBQLVKVUVGI-UHFFFAOYSA-N
XLogP3.40
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661
4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18206718
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623627
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061126
4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623620
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 8539506
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18209184
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide (CID 18226822) is 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide is COc1ccccc1CNC(=O)C(C)ON=C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide?
The InChIKey is YSUMBQLVKVUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-17(22(28)24-16-18-8-6-7-11-21(18)30-2)31-26-20-12-14-27(15-13-20)23(29)25-19-9-4-3-5-10-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide?
4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 18226822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).