1-[2-(methylamino)acetyl]piperidin-4-one

C8H14N2O2 — CID 110479082

IUPAC1-[2-(methylamino)acetyl]piperidin-4-one
SMILESCNCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H14N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h9H,2-6H2,1H3
InChIKeyHVCPJPIVEGPUHJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.60
Rot. Bonds2

About 1-[2-(methylamino)acetyl]piperidin-4-one

1-[2-(methylamino)acetyl]piperidin-4-one (PubChem CID 110479082) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[2-(methylamino)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(methylamino)acetyl]piperidin-4-one
PubChem CID110479082
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[2-(methylamino)acetyl]piperidin-4-one
SMILESCNCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H14N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h9H,2-6H2,1H3
InChIKeyHVCPJPIVEGPUHJ-UHFFFAOYSA-N
XLogP-0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
1-propanoylazepan-4-one
CID 18675736
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
1-acetylpiperidin-4-one;ethane
CID 91328133
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(methylamino)acetyl]piperidin-4-one (CID 110479082) is 1-[2-(methylamino)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(methylamino)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(methylamino)acetyl]piperidin-4-one is CNCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-(methylamino)acetyl]piperidin-4-one?
The InChIKey is HVCPJPIVEGPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h9H,2-6H2,1H3.
What are the key properties of 1-[2-(methylamino)acetyl]piperidin-4-one?
1-[2-(methylamino)acetyl]piperidin-4-one has a molecular weight of 170.21 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)acetyl]piperidin-4-one is sourced from PubChem (CID 110479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).