4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C16H23N3O3 — CID 91784309

IUPAC4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(CO)ccn2)C(C)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(2)9-18-6-7-19(12(3)15(18)21)16(22)14-8-13(10-20)4-5-17-14/h4-5,8,11-12,20H,6-7,9-10H2,1-3H3
InChIKeySGWTXHLIPDMGSB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.90
Rot. Bonds4

About 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 91784309) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID91784309
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(CO)ccn2)C(C)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(2)9-18-6-7-19(12(3)15(18)21)16(22)14-8-13(10-20)4-5-17-14/h4-5,8,11-12,20H,6-7,9-10H2,1-3H3
InChIKeySGWTXHLIPDMGSB-UHFFFAOYSA-N
XLogP0.90
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 91784309) is 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2cc(CO)ccn2)C(C)C1=O.
What is the InChIKey of 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is SGWTXHLIPDMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)9-18-6-7-19(12(3)15(18)21)16(22)14-8-13(10-20)4-5-17-14/h4-5,8,11-12,20H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 91784309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).