1-butyl-3-(2-methylpiperidin-1-yl)urea

C11H23N3O — CID 154442768

IUPAC1-butyl-3-(2-methylpiperidin-1-yl)urea
SMILESCCCCNC(=O)NN1CCCCC1C
InChIInChI=1S/C11H23N3O/c1-3-4-8-12-11(15)13-14-9-6-5-7-10(14)2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyMHEBNJVGLBMKRG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.88
Rot. Bonds4

About 1-butyl-3-(2-methylpiperidin-1-yl)urea

1-butyl-3-(2-methylpiperidin-1-yl)urea (PubChem CID 154442768) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-methylpiperidin-1-yl)urea
PubChem CID154442768
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-butyl-3-(2-methylpiperidin-1-yl)urea
SMILESCCCCNC(=O)NN1CCCCC1C
InChIInChI=1S/C11H23N3O/c1-3-4-8-12-11(15)13-14-9-6-5-7-10(14)2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyMHEBNJVGLBMKRG-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-3-(4-methylpiperazin-1-yl)urea
CID 1530100
Urea, 1-(2-chloroethyl)-3-(2,6-dimethylpiperidino)-
CID 294160
4-Cyclohexyl-1,1-dimethylsemicarbazide
CID 3617823
1-(2,6-Dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea
CID 47252530
1-Amino-3-tridecan-7-ylurea
CID 9881578
3-(4-Aminomethyl-1-piperidinyl)-1-cyclohexyl urea
CID 18678573
1-[4-(Aminomethyl)piperidin-1-yl]-3-hexylurea
CID 18678614
1-(Cyclohexylamino)-3-propylurea
CID 19825800
1-Butyl-1-(2,6-dimethylpiperidin-1-yl)urea
CID 20403154
1-Amino-3-methyl-1-[(1-methylpiperidin-2-yl)methyl]urea
CID 20752999
1-Cyclohexyl-3-(2-methylhydrazinyl)urea
CID 21400248
1-[Cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea
CID 23526165

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpiperidin-1-yl)urea?
The IUPAC name of 1-butyl-3-(2-methylpiperidin-1-yl)urea (CID 154442768) is 1-butyl-3-(2-methylpiperidin-1-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-methylpiperidin-1-yl)urea?
The canonical SMILES for 1-butyl-3-(2-methylpiperidin-1-yl)urea is CCCCNC(=O)NN1CCCCC1C.
What is the InChIKey of 1-butyl-3-(2-methylpiperidin-1-yl)urea?
The InChIKey is MHEBNJVGLBMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-8-12-11(15)13-14-9-6-5-7-10(14)2/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-butyl-3-(2-methylpiperidin-1-yl)urea?
1-butyl-3-(2-methylpiperidin-1-yl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpiperidin-1-yl)urea is sourced from PubChem (CID 154442768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).