N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide

C15H28N2O2 — CID 104596904

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(C)CCCCN2)C1
InChIInChI=1S/C15H28N2O2/c1-12-6-5-8-15(19,10-12)11-16-13(18)14(2)7-3-4-9-17-14/h12,17,19H,3-11H2,1-2H3,(H,16,18)
InChIKeyXQWZJOSAVAALDG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.58
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104596904) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
PubChem CID104596904
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(C)CCCCN2)C1
InChIInChI=1S/C15H28N2O2/c1-12-6-5-8-15(19,10-12)11-16-13(18)14(2)7-3-4-9-17-14/h12,17,19H,3-11H2,1-2H3,(H,16,18)
InChIKeyXQWZJOSAVAALDG-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide (CID 104596904) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide is CC1CCCC(O)(CNC(=O)C2(C)CCCCN2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is XQWZJOSAVAALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-6-5-8-15(19,10-12)11-16-13(18)14(2)7-3-4-9-17-14/h12,17,19H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).