(1-formylpiperidin-3-yl)methylurea

C8H15N3O2 — CID 64990728

IUPAC(1-formylpiperidin-3-yl)methylurea
SMILESNC(=O)NCC1CCCN(C=O)C1
InChIInChI=1S/C8H15N3O2/c9-8(13)10-4-7-2-1-3-11(5-7)6-12/h6-7H,1-5H2,(H3,9,10,13)
InChIKeySALGPLDQTOFECD-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.48
Rot. Bonds3

About (1-formylpiperidin-3-yl)methylurea

(1-formylpiperidin-3-yl)methylurea (PubChem CID 64990728) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (1-formylpiperidin-3-yl)methylurea.

Molecular Properties

Compound Name(1-formylpiperidin-3-yl)methylurea
PubChem CID64990728
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(1-formylpiperidin-3-yl)methylurea
SMILESNC(=O)NCC1CCCN(C=O)C1
InChIInChI=1S/C8H15N3O2/c9-8(13)10-4-7-2-1-3-11(5-7)6-12/h6-7H,1-5H2,(H3,9,10,13)
InChIKeySALGPLDQTOFECD-UHFFFAOYSA-N
XLogP-0.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-formylpiperidin-3-yl)methylurea?
The IUPAC name of (1-formylpiperidin-3-yl)methylurea (CID 64990728) is (1-formylpiperidin-3-yl)methylurea.
What is the SMILES notation for (1-formylpiperidin-3-yl)methylurea?
The canonical SMILES for (1-formylpiperidin-3-yl)methylurea is NC(=O)NCC1CCCN(C=O)C1.
What is the InChIKey of (1-formylpiperidin-3-yl)methylurea?
The InChIKey is SALGPLDQTOFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-8(13)10-4-7-2-1-3-11(5-7)6-12/h6-7H,1-5H2,(H3,9,10,13).
What are the key properties of (1-formylpiperidin-3-yl)methylurea?
(1-formylpiperidin-3-yl)methylurea has a molecular weight of 185.23 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylpiperidin-3-yl)methylurea is sourced from PubChem (CID 64990728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).