piperidin-4-ylurea

C6H13N3O — CID 12631721

IUPACpiperidin-4-ylurea
SMILESNC(=O)NC1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyKCDIWATZOVCVKI-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.59
Rot. Bonds1

About piperidin-4-ylurea

piperidin-4-ylurea (PubChem CID 12631721) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is piperidin-4-ylurea.

Molecular Properties

Compound Namepiperidin-4-ylurea
PubChem CID12631721
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Namepiperidin-4-ylurea
SMILESNC(=O)NC1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyKCDIWATZOVCVKI-UHFFFAOYSA-N
XLogP-0.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylurea?
The IUPAC name of piperidin-4-ylurea (CID 12631721) is piperidin-4-ylurea.
What is the SMILES notation for piperidin-4-ylurea?
The canonical SMILES for piperidin-4-ylurea is NC(=O)NC1CCNCC1.
What is the InChIKey of piperidin-4-ylurea?
The InChIKey is KCDIWATZOVCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H3,7,9,10).
What are the key properties of piperidin-4-ylurea?
piperidin-4-ylurea has a molecular weight of 143.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylurea is sourced from PubChem (CID 12631721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).