1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea

C28H27N3O — CID 67231718

IUPAC1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CNCCC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3O/c32-28(30-25-15-14-21-8-4-5-9-24(21)18-25)31-27-19-29-17-16-26(27)23-12-10-22(11-13-23)20-6-2-1-3-7-20/h1-15,18,26-27,29H,16-17,19H2,(H2,30,31,32)
InChIKeyZTZMRFZPMOLLEM-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.77
Rot. Bonds4

About 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea

1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea (PubChem CID 67231718) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea
PubChem CID67231718
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CNCCC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3O/c32-28(30-25-15-14-21-8-4-5-9-24(21)18-25)31-27-19-29-17-16-26(27)23-12-10-22(11-13-23)20-6-2-1-3-7-20/h1-15,18,26-27,29H,16-17,19H2,(H2,30,31,32)
InChIKeyZTZMRFZPMOLLEM-UHFFFAOYSA-N
XLogP5.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea?
The IUPAC name of 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea (CID 67231718) is 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea?
The canonical SMILES for 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea is O=C(Nc1ccc2ccccc2c1)NC1CNCCC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea?
The InChIKey is ZTZMRFZPMOLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c32-28(30-25-15-14-21-8-4-5-9-24(21)18-25)31-27-19-29-17-16-26(27)23-12-10-22(11-13-23)20-6-2-1-3-7-20/h1-15,18,26-27,29H,16-17,19H2,(H2,30,31,32).
What are the key properties of 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea?
1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea has a molecular weight of 421.54 g/mol, XLogP of 5.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea is sourced from PubChem (CID 67231718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).