2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide

C15H21N3O2 — CID 2855888

IUPAC2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
SMILESCOC(C(=O)NN=C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18-10-8-13(9-11-18)16-17-15(19)14(20-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyLYNPUTCLBNYGHM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.57
Rot. Bonds4

About 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide

2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide (PubChem CID 2855888) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
PubChem CID2855888
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
SMILESCOC(C(=O)NN=C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18-10-8-13(9-11-18)16-17-15(19)14(20-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyLYNPUTCLBNYGHM-UHFFFAOYSA-N
XLogP1.57
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide (CID 2855888) is 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide is COC(C(=O)NN=C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The InChIKey is LYNPUTCLBNYGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-8-13(9-11-18)16-17-15(19)14(20-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 2855888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).