4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

C12H19N3O4 — CID 78983107

IUPAC4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H19N3O4/c1-19-8-11(17)14-2-4-15(5-3-14)12(18)9-6-10(16)13-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyBUHQHADOQIYXDJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.56
Rot. Bonds3

About 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 78983107) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID78983107
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H19N3O4/c1-19-8-11(17)14-2-4-15(5-3-14)12(18)9-6-10(16)13-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyBUHQHADOQIYXDJ-UHFFFAOYSA-N
XLogP-1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide
CID 78981891
1-tert-butyl-4-[4-(2-methoxyacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546277
cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378488
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 78983107) is 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is COCC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BUHQHADOQIYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-19-8-11(17)14-2-4-15(5-3-14)12(18)9-6-10(16)13-7-9/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 269.30 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 78983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).