N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide

C16H22N4O2 — CID 7105948

IUPACN'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NN=C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-12(13-6-4-3-5-7-13)17-15(21)16(22)19-18-14-8-10-20(2)11-9-14/h3-7,12H,8-11H2,1-2H3,(H,17,21)(H,19,22)/t12-/m1/s1
InChIKeyPUUOHBUMZZUVFF-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.06
Rot. Bonds3

About N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide

N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide (PubChem CID 7105948) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
PubChem CID7105948
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NN=C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-12(13-6-4-3-5-7-13)17-15(21)16(22)19-18-14-8-10-20(2)11-9-14/h3-7,12H,8-11H2,1-2H3,(H,17,21)(H,19,22)/t12-/m1/s1
InChIKeyPUUOHBUMZZUVFF-GFCCVEGCSA-N
XLogP1.06
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide (CID 7105948) is N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)NN=C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide?
The InChIKey is PUUOHBUMZZUVFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(13-6-4-3-5-7-13)17-15(21)16(22)19-18-14-8-10-20(2)11-9-14/h3-7,12H,8-11H2,1-2H3,(H,17,21)(H,19,22)/t12-/m1/s1.
What are the key properties of N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide?
N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide has a molecular weight of 302.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 7105948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).