1-methyl-1-(2-oxopiperidin-3-yl)urea

C7H13N3O2 — CID 130678600

IUPAC1-methyl-1-(2-oxopiperidin-3-yl)urea
SMILESCN(C(N)=O)C1CCCNC1=O
InChIInChI=1S/C7H13N3O2/c1-10(7(8)12)5-3-2-4-9-6(5)11/h5H,2-4H2,1H3,(H2,8,12)(H,9,11)
InChIKeyGALWQEUBSSPIEQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.72
Rot. Bonds1

About 1-methyl-1-(2-oxopiperidin-3-yl)urea

1-methyl-1-(2-oxopiperidin-3-yl)urea (PubChem CID 130678600) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methyl-1-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxopiperidin-3-yl)urea
PubChem CID130678600
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-methyl-1-(2-oxopiperidin-3-yl)urea
SMILESCN(C(N)=O)C1CCCNC1=O
InChIInChI=1S/C7H13N3O2/c1-10(7(8)12)5-3-2-4-9-6(5)11/h5H,2-4H2,1H3,(H2,8,12)(H,9,11)
InChIKeyGALWQEUBSSPIEQ-UHFFFAOYSA-N
XLogP-0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-(2-oxopiperidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
CID 166196584
3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756
acetic acid;3-aminopiperidin-2-one
CID 139269691
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
3-[bis(2-hydroxyethyl)amino]azepan-2-one
CID 62021702
3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
CID 165132748
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one
CID 126856260
3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
CID 106635412
3-[2-aminoethyl(ethyl)amino]azepan-2-one
CID 61350282

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-methyl-1-(2-oxopiperidin-3-yl)urea (CID 130678600) is 1-methyl-1-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-methyl-1-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-methyl-1-(2-oxopiperidin-3-yl)urea is CN(C(N)=O)C1CCCNC1=O.
What is the InChIKey of 1-methyl-1-(2-oxopiperidin-3-yl)urea?
The InChIKey is GALWQEUBSSPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10(7(8)12)5-3-2-4-9-6(5)11/h5H,2-4H2,1H3,(H2,8,12)(H,9,11).
What are the key properties of 1-methyl-1-(2-oxopiperidin-3-yl)urea?
1-methyl-1-(2-oxopiperidin-3-yl)urea has a molecular weight of 171.20 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 130678600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).