N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide

C23H28N2O4 — CID 108549210

IUPACN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C23H28N2O4/c1-16-7-6-10-20(17(16)2)29-15-22(26)25-13-11-18(12-14-25)24-23(27)19-8-4-5-9-21(19)28-3/h4-10,18H,11-15H2,1-3H3,(H,24,27)
InChIKeyYKXDWZKSFQKGMY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.11
Rot. Bonds6

About N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108549210) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID108549210
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C23H28N2O4/c1-16-7-6-10-20(17(16)2)29-15-22(26)25-13-11-18(12-14-25)24-23(27)19-8-4-5-9-21(19)28-3/h4-10,18H,11-15H2,1-3H3,(H,24,27)
InChIKeyYKXDWZKSFQKGMY-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide (CID 108549210) is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1.
What is the InChIKey of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is YKXDWZKSFQKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-7-6-10-20(17(16)2)29-15-22(26)25-13-11-18(12-14-25)24-23(27)19-8-4-5-9-21(19)28-3/h4-10,18H,11-15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide?
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108549210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).