3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C13H21N3O3 — CID 114082270

IUPAC3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CC(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-13(12(14)19)4-7-15(9-13)8-11(18)16-5-2-10(17)3-6-16/h2-9H2,1H3,(H2,14,19)
InChIKeyRXNUUTDDBXDSCB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.62
Rot. Bonds3

About 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 114082270) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID114082270
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CC(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-13(12(14)19)4-7-15(9-13)8-11(18)16-5-2-10(17)3-6-16/h2-9H2,1H3,(H2,14,19)
InChIKeyRXNUUTDDBXDSCB-UHFFFAOYSA-N
XLogP-0.62
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)acetyl]piperidin-4-one
CID 102744721
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 114082271
3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 65301917
1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 114081781
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081807
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103897872
3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
CID 114070516

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 114082270) is 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(CC(=O)N2CCC(=O)CC2)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RXNUUTDDBXDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(12(14)19)4-7-15(9-13)8-11(18)16-5-2-10(17)3-6-16/h2-9H2,1H3,(H2,14,19).
What are the key properties of 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).