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

C14H25N3O3 — CID 25072677

IUPAC1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
SMILESCC(=O)N1CCC(NC(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)17-6-2-13(3-7-17)16-14(19)15-10-12-4-8-20-9-5-12/h12-13H,2-10H2,1H3,(H2,15,16,19)
InChIKeyDRWZFIRUSSUAKR-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea (PubChem CID 25072677) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
PubChem CID25072677
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
SMILESCC(=O)N1CCC(NC(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)17-6-2-13(3-7-17)16-14(19)15-10-12-4-8-20-9-5-12/h12-13H,2-10H2,1H3,(H2,15,16,19)
InChIKeyDRWZFIRUSSUAKR-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-(1-acetylpiperidin-4-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 95159121
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
CID 47186734
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 164639080
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
CID 91812785
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 113415221
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea (CID 25072677) is 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea is CC(=O)N1CCC(NC(=O)NCC2CCOCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea?
The InChIKey is DRWZFIRUSSUAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(18)17-6-2-13(3-7-17)16-14(19)15-10-12-4-8-20-9-5-12/h12-13H,2-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea has a molecular weight of 283.37 g/mol, XLogP of 0.72, 3 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-ylmethyl)urea is sourced from PubChem (CID 25072677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).