5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide

C20H21ClN2O5 — CID 108552291

IUPAC5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C20H21ClN2O5/c1-28-18-3-2-13(21)10-17(18)19(26)22-14-4-6-23(7-5-14)20(27)12-8-15(24)11-16(25)9-12/h2-3,8-11,14,24-25H,4-7H2,1H3,(H,22,26)
InChIKeyRKVHLZLLKKKWJB-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.79
Rot. Bonds4

About 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide

5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108552291) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
PubChem CID108552291
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C20H21ClN2O5/c1-28-18-3-2-13(21)10-17(18)19(26)22-14-4-6-23(7-5-14)20(27)12-8-15(24)11-16(25)9-12/h2-3,8-11,14,24-25H,4-7H2,1H3,(H,22,26)
InChIKeyRKVHLZLLKKKWJB-UHFFFAOYSA-N
XLogP2.79
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
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
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
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide (CID 108552291) is 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is RKVHLZLLKKKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-28-18-3-2-13(21)10-17(18)19(26)22-14-4-6-23(7-5-14)20(27)12-8-15(24)11-16(25)9-12/h2-3,8-11,14,24-25H,4-7H2,1H3,(H,22,26).
What are the key properties of 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide?
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108552291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).