N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide

C22H25ClN2O5 — CID 108549791

IUPACN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O5/c1-28-18-4-3-5-19(29-2)21(18)22(27)24-16-10-12-25(13-11-16)20(26)14-30-17-8-6-15(23)7-9-17/h3-9,16H,10-14H2,1-2H3,(H,24,27)
InChIKeyXKWPJPTWMGCKIM-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.16
Rot. Bonds7

About N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide (PubChem CID 108549791) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
PubChem CID108549791
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O5/c1-28-18-4-3-5-19(29-2)21(18)22(27)24-16-10-12-25(13-11-16)20(26)14-30-17-8-6-15(23)7-9-17/h3-9,16H,10-14H2,1-2H3,(H,24,27)
InChIKeyXKWPJPTWMGCKIM-UHFFFAOYSA-N
XLogP3.16
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 3612489
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide (CID 108549791) is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The InChIKey is XKWPJPTWMGCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-28-18-4-3-5-19(29-2)21(18)22(27)24-16-10-12-25(13-11-16)20(26)14-30-17-8-6-15(23)7-9-17/h3-9,16H,10-14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide has a molecular weight of 432.90 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 108549791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).