N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide

C32H33N3O3 — CID 46948290

IUPACN-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C32H33N3O3/c1-37-27-16-12-25(13-17-27)31(30-9-5-6-20-33-30)34-32(36)26-18-21-35(22-19-26)23-24-10-14-29(15-11-24)38-28-7-3-2-4-8-28/h2-17,20,26,31H,18-19,21-23H2,1H3,(H,34,36)
InChIKeyQQYAPCJBIKFBEQ-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.00
Rot. Bonds9

About N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide

N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46948290) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46948290
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC NameN-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C32H33N3O3/c1-37-27-16-12-25(13-17-27)31(30-9-5-6-20-33-30)34-32(36)26-18-21-35(22-19-26)23-24-10-14-29(15-11-24)38-28-7-3-2-4-8-28/h2-17,20,26,31H,18-19,21-23H2,1H3,(H,34,36)
InChIKeyQQYAPCJBIKFBEQ-UHFFFAOYSA-N
XLogP6.00
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide (CID 46948290) is N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(C(NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QQYAPCJBIKFBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-37-27-16-12-25(13-17-27)31(30-9-5-6-20-33-30)34-32(36)26-18-21-35(22-19-26)23-24-10-14-29(15-11-24)38-28-7-3-2-4-8-28/h2-17,20,26,31H,18-19,21-23H2,1H3,(H,34,36).
What are the key properties of N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide?
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).