N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide

C13H21N3O2 — CID 79155147

IUPACN-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
SMILESN#CC(NC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c14-10-12(11-4-2-1-3-5-11)15-13(17)16-6-8-18-9-7-16/h11-12H,1-9H2,(H,15,17)
InChIKeyVBSXDLGBLUTGIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds2

About N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide

N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide (PubChem CID 79155147) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
PubChem CID79155147
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
SMILESN#CC(NC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c14-10-12(11-4-2-1-3-5-11)15-13(17)16-6-8-18-9-7-16/h11-12H,1-9H2,(H,15,17)
InChIKeyVBSXDLGBLUTGIM-UHFFFAOYSA-N
XLogP1.50
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
CID 144828396
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 127415284
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59414130
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-(1-cyclopropyl-3-hydroxypropyl)morpholine-4-carboxamide
CID 111457879

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide (CID 79155147) is N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide is N#CC(NC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide?
The InChIKey is VBSXDLGBLUTGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-12(11-4-2-1-3-5-11)15-13(17)16-6-8-18-9-7-16/h11-12H,1-9H2,(H,15,17).
What are the key properties of N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide?
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 79155147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).