1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea

C10H21N3O — CID 3470769

IUPAC1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-11(2)10(14)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3
InChIKeyWJPFNITUJOCLIC-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds1

About 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea

1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea (PubChem CID 3470769) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea
PubChem CID3470769
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-11(2)10(14)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3
InChIKeyWJPFNITUJOCLIC-UHFFFAOYSA-N
XLogP0.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Diethylpropyleneurea
CID 99136
N,N'-Dipropylpropyleneurea
CID 99137
1-Piperidinecarboxamide, N,N-dimethyl-
CID 99268
1,3-Dibutylhexahydropyrimidin-2-one
CID 12867749
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
N,N-diethylpiperidine-1-carboxamide
CID 306073
2-methyl-N-propylpiperidine-1-carboxamide
CID 6468414
1-Cyclohexyl-1,3,3-trimethylurea
CID 59165080
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea (CID 3470769) is 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)N(C)C)CC1.
What is the InChIKey of 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is WJPFNITUJOCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-11(2)10(14)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea?
1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 3470769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).