1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea

C19H23N3O — CID 2814230

IUPAC1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C19H23N3O/c1-15-9-3-4-10-16(15)20-19(23)21-17-11-5-6-12-18(17)22-13-7-2-8-14-22/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,20,21,23)
InChIKeyKABFROZXSWTVJW-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea

1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea (PubChem CID 2814230) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
PubChem CID2814230
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C19H23N3O/c1-15-9-3-4-10-16(15)20-19(23)21-17-11-5-6-12-18(17)22-13-7-2-8-14-22/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,20,21,23)
InChIKeyKABFROZXSWTVJW-UHFFFAOYSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432238
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 111754331
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea (CID 2814230) is 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea?
The InChIKey is KABFROZXSWTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-9-3-4-10-16(15)20-19(23)21-17-11-5-6-12-18(17)22-13-7-2-8-14-22/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea?
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea has a molecular weight of 309.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 2814230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).