1-(2-methylpiperidin-1-yl)-3-propylurea

C10H21N3O — CID 158620422

IUPAC1-(2-methylpiperidin-1-yl)-3-propylurea
SMILESCCCNC(=O)NN1CCCCC1C
InChIInChI=1S/C10H21N3O/c1-3-7-11-10(14)12-13-8-5-4-6-9(13)2/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXCHTWKOXXXIVKW-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-3-propylurea

1-(2-methylpiperidin-1-yl)-3-propylurea (PubChem CID 158620422) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-propylurea
PubChem CID158620422
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-methylpiperidin-1-yl)-3-propylurea
SMILESCCCNC(=O)NN1CCCCC1C
InChIInChI=1S/C10H21N3O/c1-3-7-11-10(14)12-13-8-5-4-6-9(13)2/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXCHTWKOXXXIVKW-UHFFFAOYSA-N
XLogP1.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-propylurea?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-propylurea (CID 158620422) is 1-(2-methylpiperidin-1-yl)-3-propylurea.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-propylurea?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-propylurea is CCCNC(=O)NN1CCCCC1C.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-propylurea?
The InChIKey is XCHTWKOXXXIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-7-11-10(14)12-13-8-5-4-6-9(13)2/h9H,3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-propylurea?
1-(2-methylpiperidin-1-yl)-3-propylurea has a molecular weight of 199.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-propylurea is sourced from PubChem (CID 158620422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).