5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide

C22H25ClN2O5 — CID 108552221

IUPAC5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C22H25ClN2O5/c1-28-17-8-7-14(23)13-16(17)21(26)24-15-9-11-25(12-10-15)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26)
InChIKeyPFXGFIXGBKHANN-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.40
Rot. Bonds6

About 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide

5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108552221) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
PubChem CID108552221
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C22H25ClN2O5/c1-28-17-8-7-14(23)13-16(17)21(26)24-15-9-11-25(12-10-15)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26)
InChIKeyPFXGFIXGBKHANN-UHFFFAOYSA-N
XLogP3.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide (CID 108552221) is 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is PFXGFIXGBKHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-28-17-8-7-14(23)13-16(17)21(26)24-15-9-11-25(12-10-15)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26).
What are the key properties of 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 432.90 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108552221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).