3-(1-butylpiperidin-3-yl)-1,1-dimethylurea

C12H25N3O — CID 119088551

IUPAC3-(1-butylpiperidin-3-yl)-1,1-dimethylurea
SMILESCCCCN1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-8-15-9-6-7-11(10-15)13-12(16)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyGFEAGJMABISQMF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds4

About 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea

3-(1-butylpiperidin-3-yl)-1,1-dimethylurea (PubChem CID 119088551) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-butylpiperidin-3-yl)-1,1-dimethylurea
PubChem CID119088551
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(1-butylpiperidin-3-yl)-1,1-dimethylurea
SMILESCCCCN1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-8-15-9-6-7-11(10-15)13-12(16)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyGFEAGJMABISQMF-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea (CID 119088551) is 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea is CCCCN1CCCC(NC(=O)N(C)C)C1.
What is the InChIKey of 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea?
The InChIKey is GFEAGJMABISQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-8-15-9-6-7-11(10-15)13-12(16)14(2)3/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea?
3-(1-butylpiperidin-3-yl)-1,1-dimethylurea has a molecular weight of 227.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpiperidin-3-yl)-1,1-dimethylurea is sourced from PubChem (CID 119088551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).