(Piperidin-3-ylmethyl)urea

C7H15N3O — CID 20115193

IUPACpiperidin-3-ylmethylurea
SMILESC1CC(CNC1)CNC(=O)N
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyDBPIXMWADUFFDW-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.70
Rot. Bonds2

About (Piperidin-3-ylmethyl)urea

(Piperidin-3-ylmethyl)urea (PubChem CID 20115193) has the molecular formula C7H15N3O and a molecular weight of 157.21 g/mol. Its IUPAC name is piperidin-3-ylmethylurea.

Molecular Properties

Compound Name(Piperidin-3-ylmethyl)urea
PubChem CID20115193
Molecular FormulaC7H15N3O
Molecular Weight157.21 g/mol
Exact Mass157.12
IUPAC Namepiperidin-3-ylmethylurea
SMILESC1CC(CNC1)CNC(=O)N
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyDBPIXMWADUFFDW-UHFFFAOYSA-N
XLogP-0.70
TPSA67.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity138

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Piperidin-3-ylmethyl)urea?
The IUPAC name of (Piperidin-3-ylmethyl)urea (CID 20115193) is piperidin-3-ylmethylurea.
What is the SMILES notation for (Piperidin-3-ylmethyl)urea?
The canonical SMILES for (Piperidin-3-ylmethyl)urea is C1CC(CNC1)CNC(=O)N.
What is the InChIKey of (Piperidin-3-ylmethyl)urea?
The InChIKey is DBPIXMWADUFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h6,9H,1-5H2,(H3,8,10,11).
What are the key properties of (Piperidin-3-ylmethyl)urea?
(Piperidin-3-ylmethyl)urea has a molecular weight of 157.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Piperidin-3-ylmethyl)urea is sourced from PubChem (CID 20115193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).