trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide

C15H25N3O2 — CID 91790135

IUPACtrans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H25N3O2/c1-17-10-8-16-14(17)7-4-9-18(2)15(20)12-5-3-6-13(19)11-12/h8,10,12-13,19H,3-7,9,11H2,1-2H3/t12-,13-/m0/s1
InChIKeyVZJAUICDGVYAIJ-STQMWFEESA-N
MW279.38 g/mol
LogP1.36
Rot. Bonds5

About trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide

trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 91790135) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide
PubChem CID91790135
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H25N3O2/c1-17-10-8-16-14(17)7-4-9-18(2)15(20)12-5-3-6-13(19)11-12/h8,10,12-13,19H,3-7,9,11H2,1-2H3/t12-,13-/m0/s1
InChIKeyVZJAUICDGVYAIJ-STQMWFEESA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide (CID 91790135) is trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide is CN(CCCc1nccn1C)C(=O)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is VZJAUICDGVYAIJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-10-8-16-14(17)7-4-9-18(2)15(20)12-5-3-6-13(19)11-12/h8,10,12-13,19H,3-7,9,11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91790135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).