1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea

C11H24N4O — CID 83116217

IUPAC1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
SMILESCN1CCC(NCCNC(=O)N(C)C)CC1
InChIInChI=1S/C11H24N4O/c1-14(2)11(16)13-7-6-12-10-4-8-15(3)9-5-10/h10,12H,4-9H2,1-3H3,(H,13,16)
InChIKeyOEMRJMCPFXGVEH-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.06
Rot. Bonds4

About 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea

1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea (PubChem CID 83116217) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
PubChem CID83116217
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
SMILESCN1CCC(NCCNC(=O)N(C)C)CC1
InChIInChI=1S/C11H24N4O/c1-14(2)11(16)13-7-6-12-10-4-8-15(3)9-5-10/h10,12H,4-9H2,1-3H3,(H,13,16)
InChIKeyOEMRJMCPFXGVEH-UHFFFAOYSA-N
XLogP-0.06
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
CID 106595003
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
CID 83115963
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
CID 112682262
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106
3-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,1-dimethylurea
CID 83116933

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea (CID 83116217) is 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea is CN1CCC(NCCNC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea?
The InChIKey is OEMRJMCPFXGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-14(2)11(16)13-7-6-12-10-4-8-15(3)9-5-10/h10,12H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea?
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea has a molecular weight of 228.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea is sourced from PubChem (CID 83116217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).