N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C27H31N3O3 — CID 137423664

IUPACN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1
InChIInChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyNFXJNKBSQYCEAG-AREMUKBSSA-N
MW445.56 g/mol
LogP4.09
Rot. Bonds9

About N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 137423664) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID137423664
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1
InChIInChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyNFXJNKBSQYCEAG-AREMUKBSSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 137423664) is N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is COc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is NFXJNKBSQYCEAG-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(R)-(3-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-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).