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

C15H21N3O2 — CID 749864

IUPAC(2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
SMILESCO[C@H](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)/t14-/m0/s1
InChIKeyLYNPUTCLBNYGHM-AWEZNQCLSA-N
MW275.35 g/mol
LogP1.57
Rot. Bonds4

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

(2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide (PubChem CID 749864) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
PubChem CID749864
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide
SMILESCO[C@H](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)/t14-/m0/s1
InChIKeyLYNPUTCLBNYGHM-AWEZNQCLSA-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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Related Compounds

N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 958705
N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
CID 7105948
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
N-(cyclohexylideneamino)-2,2-diphenylacetamide
CID 968754
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide (CID 749864) is (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide is CO[C@H](C(=O)NN=C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
The InChIKey is LYNPUTCLBNYGHM-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide?
(2S)-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 (2S)-2-methoxy-N-[(1-methylpiperidin-4-ylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 749864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).