4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide

C18H28N2O2 — CID 86792095

IUPAC4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCC(C)(CO)CC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-13-9-14(2)16(15(3)10-13)11-19-17(22)20-7-5-18(4,12-21)6-8-20/h9-10,21H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyQJHLTLUQJIXSBC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.92
Rot. Bonds3

About 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide

4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 86792095) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
PubChem CID86792095
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCC(C)(CO)CC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-13-9-14(2)16(15(3)10-13)11-19-17(22)20-7-5-18(4,12-21)6-8-20/h9-10,21H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyQJHLTLUQJIXSBC-UHFFFAOYSA-N
XLogP2.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide (CID 86792095) is 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide is Cc1cc(C)c(CNC(=O)N2CCC(C)(CO)CC2)c(C)c1.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is QJHLTLUQJIXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-9-14(2)16(15(3)10-13)11-19-17(22)20-7-5-18(4,12-21)6-8-20/h9-10,21H,5-8,11-12H2,1-4H3,(H,19,22).
What are the key properties of 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86792095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).