1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

C14H21N3O — CID 6470737

IUPAC1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)15-14(18)16-13-7-9-17(2)10-8-13/h3-6,13H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeySBMPFHOKEDBPGD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 6470737) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID6470737
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)15-14(18)16-13-7-9-17(2)10-8-13/h3-6,13H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeySBMPFHOKEDBPGD-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (CID 6470737) is 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is SBMPFHOKEDBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)15-14(18)16-13-7-9-17(2)10-8-13/h3-6,13H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 6470737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).