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

C18H25ClN2O3 — CID 108552297

IUPAC5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-18(2,3)17(23)21-9-7-13(8-10-21)20-16(22)14-11-12(19)5-6-15(14)24-4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22)
InChIKeyRJUXEWWBSPHUSI-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.12
Rot. Bonds3

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

5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108552297) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
PubChem CID108552297
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-18(2,3)17(23)21-9-7-13(8-10-21)20-16(22)14-11-12(19)5-6-15(14)24-4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22)
InChIKeyRJUXEWWBSPHUSI-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
1-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807318
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide (CID 108552297) is 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is RJUXEWWBSPHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-18(2,3)17(23)21-9-7-13(8-10-21)20-16(22)14-11-12(19)5-6-15(14)24-4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22).
What are the key properties of 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 352.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108552297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).