1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C28H33N3O3 — CID 46943175

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32)
InChIKeyPRRDXFNPPPONKF-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.40
Rot. Bonds9

About 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 46943175) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID46943175
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32)
InChIKeyPRRDXFNPPPONKF-UHFFFAOYSA-N
XLogP4.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 46943175) is 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is COc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is PRRDXFNPPPONKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46943175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).