1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea

C17H20N4O — CID 110706498

IUPAC1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O/c22-17(20-15-8-10-18-11-9-15)19-14-4-6-16(7-5-14)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H2,18,19,20,22)
InChIKeyMZVHIRLOCPACDR-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea

1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea (PubChem CID 110706498) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
PubChem CID110706498
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O/c22-17(20-15-8-10-18-11-9-15)19-14-4-6-16(7-5-14)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H2,18,19,20,22)
InChIKeyMZVHIRLOCPACDR-UHFFFAOYSA-N
XLogP3.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-(4-bromo-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992487
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 71896243
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea (CID 110706498) is 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea?
The InChIKey is MZVHIRLOCPACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-15-8-10-18-11-9-15)19-14-4-6-16(7-5-14)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H2,18,19,20,22).
What are the key properties of 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea?
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea has a molecular weight of 296.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 110706498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).