1-(dimethylamino)-3-piperidin-4-ylurea

C8H18N4O — CID 174543793

IUPAC1-(dimethylamino)-3-piperidin-4-ylurea
SMILESCN(C)NC(=O)NC1CCNCC1
InChIInChI=1S/C8H18N4O/c1-12(2)11-8(13)10-7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyOCSGUDZJRIFVPQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.49
Rot. Bonds2

About 1-(dimethylamino)-3-piperidin-4-ylurea

1-(dimethylamino)-3-piperidin-4-ylurea (PubChem CID 174543793) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(dimethylamino)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(dimethylamino)-3-piperidin-4-ylurea
PubChem CID174543793
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-(dimethylamino)-3-piperidin-4-ylurea
SMILESCN(C)NC(=O)NC1CCNCC1
InChIInChI=1S/C8H18N4O/c1-12(2)11-8(13)10-7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyOCSGUDZJRIFVPQ-UHFFFAOYSA-N
XLogP-0.49
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
1-methyl-3-piperidin-4-ylurea
CID 18759970
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
CID 12035238
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
1-piperidin-4-yl-3-(trifluoromethyl)urea
CID 174597636
2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119387962
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-piperidin-4-ylurea?
The IUPAC name of 1-(dimethylamino)-3-piperidin-4-ylurea (CID 174543793) is 1-(dimethylamino)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(dimethylamino)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(dimethylamino)-3-piperidin-4-ylurea is CN(C)NC(=O)NC1CCNCC1.
What is the InChIKey of 1-(dimethylamino)-3-piperidin-4-ylurea?
The InChIKey is OCSGUDZJRIFVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-12(2)11-8(13)10-7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(dimethylamino)-3-piperidin-4-ylurea?
1-(dimethylamino)-3-piperidin-4-ylurea has a molecular weight of 186.26 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-piperidin-4-ylurea is sourced from PubChem (CID 174543793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).