1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea

C9H19N3O — CID 91618734

IUPAC1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)10-8-5-4-6-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyXDYGYQPYYHZCCN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.35
Rot. Bonds1

About 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea

1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea (PubChem CID 91618734) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea
PubChem CID91618734
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)10-8-5-4-6-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyXDYGYQPYYHZCCN-UHFFFAOYSA-N
XLogP0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperazinecarboxamide, N,4-dicyclohexyl-
CID 1247123
N-Methyl-1-piperidinecarboxamide
CID 3442879
N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
N,N-Diethylpiperazine-1-carboxamide
CID 67067

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea (CID 91618734) is 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea is CN1CCCC(NC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea?
The InChIKey is XDYGYQPYYHZCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(2)9(13)10-8-5-4-6-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea?
1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea has a molecular weight of 185.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 91618734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).