methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid

C11H18N4O2 — CID 66798756

IUPACmethyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C11H18N4O2/c1-13-8-5-12-10(13)15-6-3-9(4-7-15)14(2)11(16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyHUEVPFIWSMEZSZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.00
Rot. Bonds2

About methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid

methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid (PubChem CID 66798756) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
PubChem CID66798756
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C11H18N4O2/c1-13-8-5-12-10(13)15-6-3-9(4-7-15)14(2)11(16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyHUEVPFIWSMEZSZ-UHFFFAOYSA-N
XLogP1.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid (CID 66798756) is methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid is CN(C(=O)O)C1CCN(c2nccn2C)CC1.
What is the InChIKey of methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid?
The InChIKey is HUEVPFIWSMEZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-13-8-5-12-10(13)15-6-3-9(4-7-15)14(2)11(16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17).
What are the key properties of methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid?
methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid has a molecular weight of 238.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).