4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide

C27H30N2O5 — CID 24733703

IUPAC4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1
InChIInChI=1S/C27H30N2O5/c1-31-21-11-12-25(32-2)23(18-21)19-7-6-8-22(17-19)34-20-13-15-29(16-14-20)27(30)28-24-9-4-5-10-26(24)33-3/h4-12,17-18,20H,13-16H2,1-3H3,(H,28,30)
InChIKeyYSHHNFXIFMUJBO-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.45
Rot. Bonds7

About 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide

4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 24733703) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID24733703
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1
InChIInChI=1S/C27H30N2O5/c1-31-21-11-12-25(32-2)23(18-21)19-7-6-8-22(17-19)34-20-13-15-29(16-14-20)27(30)28-24-9-4-5-10-26(24)33-3/h4-12,17-18,20H,13-16H2,1-3H3,(H,28,30)
InChIKeyYSHHNFXIFMUJBO-UHFFFAOYSA-N
XLogP5.45
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
CID 24733705
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-[4-[4-(1-formylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 167018948
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
CID 24733680
(3R)-N-(2-methoxyphenyl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543886
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 24733703) is 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1.
What is the InChIKey of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is YSHHNFXIFMUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-31-21-11-12-25(32-2)23(18-21)19-7-6-8-22(17-19)34-20-13-15-29(16-14-20)27(30)28-24-9-4-5-10-26(24)33-3/h4-12,17-18,20H,13-16H2,1-3H3,(H,28,30).
What are the key properties of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24733703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).