5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C17H23ClN2O3 — CID 32541177

IUPAC5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)17(22)20-8-6-13(7-9-20)19-16(21)14-10-12(18)4-5-15(14)23-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyWTKXQRICAZYNTJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 32541177) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID32541177
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)17(22)20-8-6-13(7-9-20)19-16(21)14-10-12(18)4-5-15(14)23-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyWTKXQRICAZYNTJ-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
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
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 32541177) is 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is WTKXQRICAZYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(2)17(22)20-8-6-13(7-9-20)19-16(21)14-10-12(18)4-5-15(14)23-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 338.84 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32541177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).