3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C27H29ClN2O — CID 59691557

IUPAC3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
InChIKeyVDTTVUDVHKAPMC-UHFFFAOYSA-N
MW433.00 g/mol
LogP6.56
Rot. Bonds7

About 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 59691557) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID59691557
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC Name3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
InChIKeyVDTTVUDVHKAPMC-UHFFFAOYSA-N
XLogP6.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 59691557) is 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is VDTTVUDVHKAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31).
What are the key properties of 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 433.00 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 59691557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).