1-methyl-1-(1-methylpiperidin-3-yl)urea

C8H17N3O — CID 62546065

IUPAC1-methyl-1-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(N(C)C(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-10-5-3-4-7(6-10)11(2)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12)
InChIKeyYKMSEZLQLKUPMS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds1

About 1-methyl-1-(1-methylpiperidin-3-yl)urea

1-methyl-1-(1-methylpiperidin-3-yl)urea (PubChem CID 62546065) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-3-yl)urea
PubChem CID62546065
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-methyl-1-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(N(C)C(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-10-5-3-4-7(6-10)11(2)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12)
InChIKeyYKMSEZLQLKUPMS-UHFFFAOYSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
3-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)-3-sulfanylidenepropanamide
CID 55084851
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)urea (CID 62546065) is 1-methyl-1-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-3-yl)urea is CN1CCCC(N(C)C(N)=O)C1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-3-yl)urea?
The InChIKey is YKMSEZLQLKUPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-5-3-4-7(6-10)11(2)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of 1-methyl-1-(1-methylpiperidin-3-yl)urea?
1-methyl-1-(1-methylpiperidin-3-yl)urea has a molecular weight of 171.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 62546065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).