2-(piperidin-4-ylamino)ethylurea

C8H18N4O — CID 83109296

IUPAC2-(piperidin-4-ylamino)ethylurea
SMILESNC(=O)NCCNC1CCNCC1
InChIInChI=1S/C8H18N4O/c9-8(13)12-6-5-11-7-1-3-10-4-2-7/h7,10-11H,1-6H2,(H3,9,12,13)
InChIKeyACYGLNHZPFDRDB-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.00
Rot. Bonds4

About 2-(piperidin-4-ylamino)ethylurea

2-(piperidin-4-ylamino)ethylurea (PubChem CID 83109296) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)ethylurea.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)ethylurea
PubChem CID83109296
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-(piperidin-4-ylamino)ethylurea
SMILESNC(=O)NCCNC1CCNCC1
InChIInChI=1S/C8H18N4O/c9-8(13)12-6-5-11-7-1-3-10-4-2-7/h7,10-11H,1-6H2,(H3,9,12,13)
InChIKeyACYGLNHZPFDRDB-UHFFFAOYSA-N
XLogP-1.00
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
N,N-dimethyl-5-(piperidin-4-ylamino)pentanamide
CID 173326763
N-(2-fluoroethyl)piperidin-4-amine
CID 84649097
N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
CID 122080782
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)ethylurea?
The IUPAC name of 2-(piperidin-4-ylamino)ethylurea (CID 83109296) is 2-(piperidin-4-ylamino)ethylurea.
What is the SMILES notation for 2-(piperidin-4-ylamino)ethylurea?
The canonical SMILES for 2-(piperidin-4-ylamino)ethylurea is NC(=O)NCCNC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylamino)ethylurea?
The InChIKey is ACYGLNHZPFDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-8(13)12-6-5-11-7-1-3-10-4-2-7/h7,10-11H,1-6H2,(H3,9,12,13).
What are the key properties of 2-(piperidin-4-ylamino)ethylurea?
2-(piperidin-4-ylamino)ethylurea has a molecular weight of 186.26 g/mol, XLogP of -1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)ethylurea is sourced from PubChem (CID 83109296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).