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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Related Compounds

1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134434989
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
N-(1,4-dimethylpiperidin-4-yl)-2-morpholin-4-ylacetamide
CID 142326973
4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 162369967
N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
CID 142327060
1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea
CID 165478084
1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 142326925
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261

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).