1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea

C13H24N4O2 — CID 167933678

IUPAC1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
SMILESCN1CCC(N2CC(NC(=O)N(C)C)CC2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-15(2)13(19)14-10-8-12(18)17(9-10)11-4-6-16(3)7-5-11/h10-11H,4-9H2,1-3H3,(H,14,19)
InChIKeySGDXQGVUSNUWHG-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.05
Rot. Bonds2

About 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea

1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 167933678) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
PubChem CID167933678
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
SMILESCN1CCC(N2CC(NC(=O)N(C)C)CC2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-15(2)13(19)14-10-8-12(18)17(9-10)11-4-6-16(3)7-5-11/h10-11H,4-9H2,1-3H3,(H,14,19)
InChIKeySGDXQGVUSNUWHG-UHFFFAOYSA-N
XLogP-0.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167912777
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 95985225
(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97040965
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
CID 131187067
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327
3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 7543898

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea (CID 167933678) is 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea is CN1CCC(N2CC(NC(=O)N(C)C)CC2=O)CC1.
What is the InChIKey of 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is SGDXQGVUSNUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-15(2)13(19)14-10-8-12(18)17(9-10)11-4-6-16(3)7-5-11/h10-11H,4-9H2,1-3H3,(H,14,19).
What are the key properties of 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea?
1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 268.36 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 167933678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).