5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

C21H23ClN2O3 — CID 108552263

IUPAC5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-3-5-15(12-14)21(26)24-10-8-17(9-11-24)23-20(25)18-13-16(22)6-7-19(18)27-2/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25)
InChIKeyTXGOGZPPPMHHDK-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.69
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108552263) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108552263
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-3-5-15(12-14)21(26)24-10-8-17(9-11-24)23-20(25)18-13-16(22)6-7-19(18)27-2/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25)
InChIKeyTXGOGZPPPMHHDK-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (CID 108552263) is 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is TXGOGZPPPMHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-4-3-5-15(12-14)21(26)24-10-8-17(9-11-24)23-20(25)18-13-16(22)6-7-19(18)27-2/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.69, 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-(3-methylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108552263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).