2-(2-iminopiperidin-1-yl)ethylurea

C8H16N4O — CID 83112724

IUPAC2-(2-iminopiperidin-1-yl)ethylurea
SMILES[H]/N=C1\CCCCN1CCNC(N)=O
InChIInChI=1S/C8H16N4O/c9-7-3-1-2-5-12(7)6-4-11-8(10)13/h9H,1-6H2,(H3,10,11,13)/b9-7+
InChIKeyLKPWIRNQECALHA-VQHVLOKHSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds3

About 2-(2-iminopiperidin-1-yl)ethylurea

2-(2-iminopiperidin-1-yl)ethylurea (PubChem CID 83112724) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2-iminopiperidin-1-yl)ethylurea.

Molecular Properties

Compound Name2-(2-iminopiperidin-1-yl)ethylurea
PubChem CID83112724
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-(2-iminopiperidin-1-yl)ethylurea
SMILES[H]/N=C1\CCCCN1CCNC(N)=O
InChIInChI=1S/C8H16N4O/c9-7-3-1-2-5-12(7)6-4-11-8(10)13/h9H,1-6H2,(H3,10,11,13)/b9-7+
InChIKeyLKPWIRNQECALHA-VQHVLOKHSA-N
XLogP0.12
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-iminopyrrolidin-1-yl)ethyl]-1,1-dimethylurea
CID 83112523
2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
CID 106238500
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
CID 89164146
CID 89164146
1-(2-methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554
1-(2-cyclohexylethyl)pyrrolidin-2-imine
CID 60920084
2-(3-bromo-2-oxopyrrolidin-1-yl)ethylurea
CID 83115540
4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
2-(2-iminopiperidin-1-yl)-3-methylbutanamide
CID 106345837

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopiperidin-1-yl)ethylurea?
The IUPAC name of 2-(2-iminopiperidin-1-yl)ethylurea (CID 83112724) is 2-(2-iminopiperidin-1-yl)ethylurea.
What is the SMILES notation for 2-(2-iminopiperidin-1-yl)ethylurea?
The canonical SMILES for 2-(2-iminopiperidin-1-yl)ethylurea is [H]/N=C1\CCCCN1CCNC(N)=O.
What is the InChIKey of 2-(2-iminopiperidin-1-yl)ethylurea?
The InChIKey is LKPWIRNQECALHA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N4O/c9-7-3-1-2-5-12(7)6-4-11-8(10)13/h9H,1-6H2,(H3,10,11,13)/b9-7+.
What are the key properties of 2-(2-iminopiperidin-1-yl)ethylurea?
2-(2-iminopiperidin-1-yl)ethylurea has a molecular weight of 184.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopiperidin-1-yl)ethylurea is sourced from PubChem (CID 83112724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).