N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C26H29N3O4 — CID 72712070

IUPACN-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCOc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30)
InChIKeyREJHNYWZKUTBBF-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.53
Rot. Bonds8

About N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712070) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712070
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCOc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30)
InChIKeyREJHNYWZKUTBBF-UHFFFAOYSA-N
XLogP4.53
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
CID 11362251
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712050
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712049
N-[3-[(2-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712051
N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712053
N-[3-[(3,5-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712250
N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712251
2-Cyclohexylethyl N-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}carbamate
CID 11690947
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 24965937
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 123372252
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 53341079

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712070) is N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC.
What is the InChIKey of N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is REJHNYWZKUTBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30).
What are the key properties of N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).