[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

C22H20ClN3O — CID 15950717

IUPAC[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20ClN3O/c23-20-4-1-3-19(15-20)16-5-7-17(8-6-16)21(27)18-9-13-26(14-10-18)22-24-11-2-12-25-22/h1-8,11-12,15,18H,9-10,13-14H2
InChIKeyVHTIWIZIPOXSNP-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.90
Rot. Bonds4

About [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (PubChem CID 15950717) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
PubChem CID15950717
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20ClN3O/c23-20-4-1-3-19(15-20)16-5-7-17(8-6-16)21(27)18-9-13-26(14-10-18)22-24-11-2-12-25-22/h1-8,11-12,15,18H,9-10,13-14H2
InChIKeyVHTIWIZIPOXSNP-UHFFFAOYSA-N
XLogP4.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (CID 15950717) is [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is O=C(c1ccc(-c2cccc(Cl)c2)cc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The InChIKey is VHTIWIZIPOXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-20-4-1-3-19(15-20)16-5-7-17(8-6-16)21(27)18-9-13-26(14-10-18)22-24-11-2-12-25-22/h1-8,11-12,15,18H,9-10,13-14H2.
What are the key properties of [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone has a molecular weight of 377.88 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 15950717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).