3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide

C33H35N3O2 — CID 67315854

IUPAC3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide
SMILESCOCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)(c1ccccc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C33H35N3O2/c1-25-23-28(19-20-34-25)26-15-17-29(18-16-26)35-32(37)33(24-38-2,36-21-9-4-10-22-36)31-14-8-7-13-30(31)27-11-5-3-6-12-27/h3,5-8,11-20,23H,4,9-10,21-22,24H2,1-2H3,(H,35,37)
InChIKeyWKWUSNCOOYWTQB-UHFFFAOYSA-N
MW505.66 g/mol
LogP6.69
Rot. Bonds8

About 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide

3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide (PubChem CID 67315854) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide
PubChem CID67315854
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide
SMILESCOCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)(c1ccccc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C33H35N3O2/c1-25-23-28(19-20-34-25)26-15-17-29(18-16-26)35-32(37)33(24-38-2,36-21-9-4-10-22-36)31-14-8-7-13-30(31)27-11-5-3-6-12-27/h3,5-8,11-20,23H,4,9-10,21-22,24H2,1-2H3,(H,35,37)
InChIKeyWKWUSNCOOYWTQB-UHFFFAOYSA-N
XLogP6.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide (CID 67315854) is 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide is COCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)(c1ccccc1-c1ccccc1)N1CCCCC1.
What is the InChIKey of 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is WKWUSNCOOYWTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-25-23-28(19-20-34-25)26-15-17-29(18-16-26)35-32(37)33(24-38-2,36-21-9-4-10-22-36)31-14-8-7-13-30(31)27-11-5-3-6-12-27/h3,5-8,11-20,23H,4,9-10,21-22,24H2,1-2H3,(H,35,37).
What are the key properties of 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide?
3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 505.66 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(2-phenylphenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 67315854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).