1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea

C13H23N3O3 — CID 25073596

IUPAC1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(17)16-6-2-11(3-7-16)14-13(18)15-12-4-8-19-9-5-12/h11-12H,2-9H2,1H3,(H2,14,15,18)
InChIKeyDMQWDRJKWGFXOR-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.48
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea (PubChem CID 25073596) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
PubChem CID25073596
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(17)16-6-2-11(3-7-16)14-13(18)15-12-4-8-19-9-5-12/h11-12H,2-9H2,1H3,(H2,14,15,18)
InChIKeyDMQWDRJKWGFXOR-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
CID 144904584
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea (CID 25073596) is 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea is CC(=O)N1CCC(NC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea?
The InChIKey is DMQWDRJKWGFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(17)16-6-2-11(3-7-16)14-13(18)15-12-4-8-19-9-5-12/h11-12H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea has a molecular weight of 269.34 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 25073596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).