N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide

C15H25N3O3 — CID 144814886

IUPACN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
SMILESCN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1
InChIKeyMXRQXAJVIAUYAF-LBFFYKKLSA-N
MW295.38 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide

N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide (PubChem CID 144814886) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
PubChem CID144814886
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
SMILESCN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1
InChIKeyMXRQXAJVIAUYAF-LBFFYKKLSA-N
XLogP1.40
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(azepan-1-yl)-2-oxoethoxy]iminopiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 60522966
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-(azepan-1-yl)-2-[(E)-benzylideneamino]oxyethanone
CID 56692418
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylideneamino]oxyethanone
CID 2848645
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
tert-butyl N-methyl-N-[(3R)-1-[(5S)-4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl]piperidin-3-yl]carbamate
CID 124744274

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The IUPAC name of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide (CID 144814886) is N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide.
What is the SMILES notation for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The canonical SMILES for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide is CN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1.
What is the InChIKey of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The InChIKey is MXRQXAJVIAUYAF-LBFFYKKLSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1.
What are the key properties of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide has a molecular weight of 295.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide is sourced from PubChem (CID 144814886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).