4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one

C12H21N3O2 — CID 36800649

IUPAC4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
SMILESCC1CCN(CC(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C12H21N3O2/c1-10-2-5-14(6-3-10)9-12(17)15-7-4-13-11(16)8-15/h10H,2-9H2,1H3,(H,13,16)
InChIKeyZMKKDAHYFQEKOB-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.32
Rot. Bonds2

About 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one

4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one (PubChem CID 36800649) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
PubChem CID36800649
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
SMILESCC1CCN(CC(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C12H21N3O2/c1-10-2-5-14(6-3-10)9-12(17)15-7-4-13-11(16)8-15/h10H,2-9H2,1H3,(H,13,16)
InChIKeyZMKKDAHYFQEKOB-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 62837528
4-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 154775681
4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
CID 167866215
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
4-acetylpiperazin-2-one
CID 12744517
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]piperazin-2-one
CID 60510014
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one (CID 36800649) is 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one is CC1CCN(CC(=O)N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one?
The InChIKey is ZMKKDAHYFQEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-2-5-14(6-3-10)9-12(17)15-7-4-13-11(16)8-15/h10H,2-9H2,1H3,(H,13,16).
What are the key properties of 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one?
4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 36800649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).