2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide

C20H23ClN2O — CID 67240038

IUPAC2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CCCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-14(15-4-8-18(21)9-5-15)20(24)23-19-10-6-16(7-11-19)17-3-2-12-22-13-17/h4-11,14,17,22H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyVUJSBZQFELIDDS-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide

2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide (PubChem CID 67240038) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide
PubChem CID67240038
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CCCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-14(15-4-8-18(21)9-5-15)20(24)23-19-10-6-16(7-11-19)17-3-2-12-22-13-17/h4-11,14,17,22H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyVUJSBZQFELIDDS-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide (CID 67240038) is 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide is CC(C(=O)Nc1ccc(C2CCCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide?
The InChIKey is VUJSBZQFELIDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14(15-4-8-18(21)9-5-15)20(24)23-19-10-6-16(7-11-19)17-3-2-12-22-13-17/h4-11,14,17,22H,2-3,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide?
2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide has a molecular weight of 342.87 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-piperidin-3-ylphenyl)propanamide is sourced from PubChem (CID 67240038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).