1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea

C13H20N4O — CID 61222902

IUPAC1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C13H20N4O/c1-17-7-3-6-12(9-17)16-13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H2,15,16,18)
InChIKeyRLTXTDQBWMWCEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea

1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea (PubChem CID 61222902) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
PubChem CID61222902
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C13H20N4O/c1-17-7-3-6-12(9-17)16-13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H2,15,16,18)
InChIKeyRLTXTDQBWMWCEA-UHFFFAOYSA-N
XLogP1.48
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223257
1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
CID 95354595
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 62948908
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 77452274
3-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]benzamide;dihydrochloride
CID 119890862
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
5-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223094
3-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223435
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea (CID 61222902) is 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea is CN1CCCC(NC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea?
The InChIKey is RLTXTDQBWMWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-7-3-6-12(9-17)16-13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea?
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 61222902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).