1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea

C13H25N3O2 — CID 113321980

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCCN1CCC(CNC(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-16-6-3-11(4-7-16)9-14-13(17)15-12-5-8-18-10-12/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyVWQALOOBKOPPCG-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.81
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea

1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 113321980) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID113321980
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCCN1CCC(CNC(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-16-6-3-11(4-7-16)9-14-13(17)15-12-5-8-18-10-12/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyVWQALOOBKOPPCG-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 116655203
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321834
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
CID 91812785
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (CID 113321980) is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is CCN1CCC(CNC(=O)NC2CCOC2)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is VWQALOOBKOPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-16-6-3-11(4-7-16)9-14-13(17)15-12-5-8-18-10-12/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 255.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 113321980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).