1,1-dimethyl-3-piperidin-3-ylurea

C8H17N3O — CID 67338659

IUPAC1,1-dimethyl-3-piperidin-3-ylurea
SMILESCN(C)C(=O)NC1CCCNC1
InChIInChI=1S/C8H17N3O/c1-11(2)8(12)10-7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyMDJZCULZJWAILA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.01
Rot. Bonds1

About 1,1-dimethyl-3-piperidin-3-ylurea

1,1-dimethyl-3-piperidin-3-ylurea (PubChem CID 67338659) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,1-dimethyl-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-piperidin-3-ylurea
PubChem CID67338659
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,1-dimethyl-3-piperidin-3-ylurea
SMILESCN(C)C(=O)NC1CCCNC1
InChIInChI=1S/C8H17N3O/c1-11(2)8(12)10-7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyMDJZCULZJWAILA-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-piperidin-3-ylurea?
The IUPAC name of 1,1-dimethyl-3-piperidin-3-ylurea (CID 67338659) is 1,1-dimethyl-3-piperidin-3-ylurea.
What is the SMILES notation for 1,1-dimethyl-3-piperidin-3-ylurea?
The canonical SMILES for 1,1-dimethyl-3-piperidin-3-ylurea is CN(C)C(=O)NC1CCCNC1.
What is the InChIKey of 1,1-dimethyl-3-piperidin-3-ylurea?
The InChIKey is MDJZCULZJWAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(2)8(12)10-7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 1,1-dimethyl-3-piperidin-3-ylurea?
1,1-dimethyl-3-piperidin-3-ylurea has a molecular weight of 171.24 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-piperidin-3-ylurea is sourced from PubChem (CID 67338659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).