1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea

C20H24ClN3O — CID 6468876

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-18(13-19(15)21)23-20(25)22-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyFTUADTJDRPPKHO-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.43
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 6468876) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID6468876
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-18(13-19(15)21)23-20(25)22-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyFTUADTJDRPPKHO-UHFFFAOYSA-N
XLogP4.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea (CID 6468876) is 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is FTUADTJDRPPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-7-8-18(13-19(15)21)23-20(25)22-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,25).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 357.89 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 6468876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).