4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one

C13H21N3O — CID 69105397

IUPAC4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC1CN(c2cc[nH]c(=O)c2C(C)C)CCN1
InChIInChI=1S/C13H21N3O/c1-9(2)12-11(4-5-15-13(12)17)16-7-6-14-10(3)8-16/h4-5,9-10,14H,6-8H2,1-3H3,(H,15,17)
InChIKeyQTPVMCSQCIHLJS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.30
Rot. Bonds2

About 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one

4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 69105397) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one
PubChem CID69105397
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC1CN(c2cc[nH]c(=O)c2C(C)C)CCN1
InChIInChI=1S/C13H21N3O/c1-9(2)12-11(4-5-15-13(12)17)16-7-6-14-10(3)8-16/h4-5,9-10,14H,6-8H2,1-3H3,(H,15,17)
InChIKeyQTPVMCSQCIHLJS-UHFFFAOYSA-N
XLogP1.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one (CID 69105397) is 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one is CC1CN(c2cc[nH]c(=O)c2C(C)C)CCN1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is QTPVMCSQCIHLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)12-11(4-5-15-13(12)17)16-7-6-14-10(3)8-16/h4-5,9-10,14H,6-8H2,1-3H3,(H,15,17).
What are the key properties of 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one?
4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 69105397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).