piperidin-2-ylmethylurea

C7H15N3O — CID 18070645

IUPACpiperidin-2-ylmethylurea
SMILESNC(=O)NCC1CCCCN1
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyVBTLNWLRGZKILF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.20
Rot. Bonds2

About piperidin-2-ylmethylurea

piperidin-2-ylmethylurea (PubChem CID 18070645) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is piperidin-2-ylmethylurea.

Molecular Properties

Compound Namepiperidin-2-ylmethylurea
PubChem CID18070645
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Namepiperidin-2-ylmethylurea
SMILESNC(=O)NCC1CCCCN1
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyVBTLNWLRGZKILF-UHFFFAOYSA-N
XLogP-0.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylmethylurea?
The IUPAC name of piperidin-2-ylmethylurea (CID 18070645) is piperidin-2-ylmethylurea.
What is the SMILES notation for piperidin-2-ylmethylurea?
The canonical SMILES for piperidin-2-ylmethylurea is NC(=O)NCC1CCCCN1.
What is the InChIKey of piperidin-2-ylmethylurea?
The InChIKey is VBTLNWLRGZKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(11)10-5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H3,8,10,11).
What are the key properties of piperidin-2-ylmethylurea?
piperidin-2-ylmethylurea has a molecular weight of 157.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylmethylurea is sourced from PubChem (CID 18070645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).