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

C20H22N2O5 — CID 108548966

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-18-4-2-13(3-5-18)19(25)21-15-6-8-22(9-7-15)20(26)14-10-16(23)12-17(24)11-14/h2-5,10-12,15,23-24H,6-9H2,1H3,(H,21,25)
InChIKeyOIJRYKHXGOHGJX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.14
Rot. Bonds4

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

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide (PubChem CID 108548966) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
PubChem CID108548966
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-18-4-2-13(3-5-18)19(25)21-15-6-8-22(9-7-15)20(26)14-10-16(23)12-17(24)11-14/h2-5,10-12,15,23-24H,6-9H2,1H3,(H,21,25)
InChIKeyOIJRYKHXGOHGJX-UHFFFAOYSA-N
XLogP2.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51954783
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide (CID 108548966) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is OIJRYKHXGOHGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-27-18-4-2-13(3-5-18)19(25)21-15-6-8-22(9-7-15)20(26)14-10-16(23)12-17(24)11-14/h2-5,10-12,15,23-24H,6-9H2,1H3,(H,21,25).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 108548966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).