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

C27H31N3O3 — CID 46943464

IUPACN-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C27H31N3O3/c1-32-25-13-6-5-11-23(25)26(24-12-7-8-16-28-24)29-27(31)21-14-17-30(18-15-21)19-20-33-22-9-3-2-4-10-22/h2-13,16,21,26H,14-15,17-20H2,1H3,(H,29,31)
InChIKeyIVWUECOXQHJUBD-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.09
Rot. Bonds9

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

N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 46943464) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID46943464
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C27H31N3O3/c1-32-25-13-6-5-11-23(25)26(24-12-7-8-16-28-24)29-27(31)21-14-17-30(18-15-21)19-20-33-22-9-3-2-4-10-22/h2-13,16,21,26H,14-15,17-20H2,1H3,(H,29,31)
InChIKeyIVWUECOXQHJUBD-UHFFFAOYSA-N
XLogP4.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 46943464) is N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is COc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is IVWUECOXQHJUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-25-13-6-5-11-23(25)26(24-12-7-8-16-28-24)29-27(31)21-14-17-30(18-15-21)19-20-33-22-9-3-2-4-10-22/h2-13,16,21,26H,14-15,17-20H2,1H3,(H,29,31).
What are the key properties of N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46943464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).