Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate

C15H25N3O4 — CID 50966805

IUPACmethyl 2-[4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCC1C(=O)N(CCN1C2CCN(CC2)C(=O)C)CC(=O)OC
InChIInChI=1S/C15H25N3O4/c1-11-15(21)17(10-14(20)22-3)8-9-18(11)13-4-6-16(7-5-13)12(2)19/h11,13H,4-10H2,1-3H3
InChIKeyAJZULKMMDKACFB-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.10
Rot. Bonds4

About Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate

Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate (PubChem CID 50966805) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 2-[4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound NameMethyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
PubChem CID50966805
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Namemethyl 2-[4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCC1C(=O)N(CCN1C2CCN(CC2)C(=O)C)CC(=O)OC
InChIInChI=1S/C15H25N3O4/c1-11-15(21)17(10-14(20)22-3)8-9-18(11)13-4-6-16(7-5-13)12(2)19/h11,13H,4-10H2,1-3H3
InChIKeyAJZULKMMDKACFB-UHFFFAOYSA-N
XLogP-0.10
TPSA70.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity446

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
Ethyl 1-(2-oxo-2-piperidin-1-ylacetyl)piperidine-2-carboxylate
CID 9948128
Methyl-2,3-dipiperidino-propionate
CID 13244262
methyl (3S,9aR)-2-acetyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-3-carboxylate
CID 135038306
Methyl ([1,4'-bipiperidin]-1'-yl)acetate
CID 15886055
Ethyl 2-[4-[methyl(propanoyl)amino]piperidin-1-yl]propanoate
CID 19778221
[2-(Dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135806
Ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
CID 58135824
Ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
CID 58135839
Ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135902
Ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
CID 58135948
2-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetic acid
CID 58135972

Frequently Asked Questions

What is the IUPAC name of Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The IUPAC name of Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate (CID 50966805) is methyl 2-[4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate is CC1C(=O)N(CCN1C2CCN(CC2)C(=O)C)CC(=O)OC.
What is the InChIKey of Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The InChIKey is AJZULKMMDKACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-11-15(21)17(10-14(20)22-3)8-9-18(11)13-4-6-16(7-5-13)12(2)19/h11,13H,4-10H2,1-3H3.
What are the key properties of Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate has a molecular weight of 311.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl [4-(1-acetylpiperidin-4-yl)-3-methyl-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 50966805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).