N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide

C16H26N4O3 — CID 110128117

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C16H26N4O3/c1-18-10-12(17-11-18)16(22)19(2)13-4-3-5-14(15(13)21)20-6-8-23-9-7-20/h10-11,13-15,21H,3-9H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyOWIRRKKPCWYOOB-RBSFLKMASA-N
MW322.41 g/mol
LogP0.11
Rot. Bonds3

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide (PubChem CID 110128117) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
PubChem CID110128117
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C16H26N4O3/c1-18-10-12(17-11-18)16(22)19(2)13-4-3-5-14(15(13)21)20-6-8-23-9-7-20/h10-11,13-15,21H,3-9H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyOWIRRKKPCWYOOB-RBSFLKMASA-N
XLogP0.11
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide (CID 110128117) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide is CN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is OWIRRKKPCWYOOB-RBSFLKMASA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18-10-12(17-11-18)16(22)19(2)13-4-3-5-14(15(13)21)20-6-8-23-9-7-20/h10-11,13-15,21H,3-9H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 110128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).