3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea

C11H23N3O — CID 106629717

IUPAC3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
SMILESCNC(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C11H23N3O/c1-9(2)14(11(15)12-3)8-10-6-4-5-7-13-10/h9-10,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyMGWINWQVAXSEQL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea

3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea (PubChem CID 106629717) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
PubChem CID106629717
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
SMILESCNC(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C11H23N3O/c1-9(2)14(11(15)12-3)8-10-6-4-5-7-13-10/h9-10,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyMGWINWQVAXSEQL-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-(piperidin-2-ylmethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 106629741
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea?
The IUPAC name of 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea (CID 106629717) is 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea?
The canonical SMILES for 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea is CNC(=O)N(CC1CCCCN1)C(C)C.
What is the InChIKey of 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea?
The InChIKey is MGWINWQVAXSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)14(11(15)12-3)8-10-6-4-5-7-13-10/h9-10,13H,4-8H2,1-3H3,(H,12,15).
What are the key properties of 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea?
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea is sourced from PubChem (CID 106629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).