1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea

C12H25N3O — CID 134434403

IUPAC1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC1(C)CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-13-11(16)14-12(3)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyMSCLKSKFEHEWAR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds3

About 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea

1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea (PubChem CID 134434403) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
PubChem CID134434403
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC1(C)CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-13-11(16)14-12(3)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyMSCLKSKFEHEWAR-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea (CID 134434403) is 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)NC1(C)CCN(C)CC1.
What is the InChIKey of 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea?
The InChIKey is MSCLKSKFEHEWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)9-13-11(16)14-12(3)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea?
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea has a molecular weight of 227.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 134434403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).