4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

C13H25N3O — CID 43748770

IUPAC4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-16-8-6-12(7-9-16)15-11-4-2-10(3-5-11)13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyXAUVNGWURQWAFK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds3

About 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 43748770) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID43748770
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-16-8-6-12(7-9-16)15-11-4-2-10(3-5-11)13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyXAUVNGWURQWAFK-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (CID 43748770) is 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is CN1CCC(NC2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is XAUVNGWURQWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-8-6-12(7-9-16)15-11-4-2-10(3-5-11)13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17).
What are the key properties of 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).