N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide

C27H30ClN3O — CID 57401146

IUPACN-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H30ClN3O/c1-27(24-11-16-29-17-12-24,23-7-9-25(28)10-8-23)30-26(32)15-20-31-18-13-22(14-19-31)21-5-3-2-4-6-21/h2-12,16-17,22H,13-15,18-20H2,1H3,(H,30,32)
InChIKeyZYPYRTNKOSHLCU-UHFFFAOYSA-N
MW448.01 g/mol
LogP5.38
Rot. Bonds7

About N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57401146) has the molecular formula C27H30ClN3O and a molecular weight of 448.01 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57401146
Molecular FormulaC27H30ClN3O
Molecular Weight448.01 g/mol
Exact Mass447.21
IUPAC NameN-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H30ClN3O/c1-27(24-11-16-29-17-12-24,23-7-9-25(28)10-8-23)30-26(32)15-20-31-18-13-22(14-19-31)21-5-3-2-4-6-21/h2-12,16-17,22H,13-15,18-20H2,1H3,(H,30,32)
InChIKeyZYPYRTNKOSHLCU-UHFFFAOYSA-N
XLogP5.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57401146) is N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide is CC(NC(=O)CCN1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is ZYPYRTNKOSHLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O/c1-27(24-11-16-29-17-12-24,23-7-9-25(28)10-8-23)30-26(32)15-20-31-18-13-22(14-19-31)21-5-3-2-4-6-21/h2-12,16-17,22H,13-15,18-20H2,1H3,(H,30,32).
What are the key properties of N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 448.01 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-pyridin-4-ylethyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57401146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).