N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

C21H24N2O6 — CID 108558147

IUPACN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1
InChIInChI=1S/C21H24N2O6/c1-28-18-9-14(10-19(12-18)29-2)21(27)23-5-3-15(4-6-23)22-20(26)13-7-16(24)11-17(25)8-13/h7-12,15,24-25H,3-6H2,1-2H3,(H,22,26)
InChIKeyVUBHKLTXZYNPLA-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108558147) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108558147
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1
InChIInChI=1S/C21H24N2O6/c1-28-18-9-14(10-19(12-18)29-2)21(27)23-5-3-15(4-6-23)22-20(26)13-7-16(24)11-17(25)8-13/h7-12,15,24-25H,3-6H2,1-2H3,(H,22,26)
InChIKeyVUBHKLTXZYNPLA-UHFFFAOYSA-N
XLogP2.15
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
4-[(3,5-dimethoxybenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559836
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108558147) is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is VUBHKLTXZYNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-28-18-9-14(10-19(12-18)29-2)21(27)23-5-3-15(4-6-23)22-20(26)13-7-16(24)11-17(25)8-13/h7-12,15,24-25H,3-6H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 400.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108558147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).