3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide

C20H22N2O5 — CID 108551461

IUPAC3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1
InChIInChI=1S/C20H22N2O5/c1-12-2-4-13(5-3-12)20(27)22-8-6-15(7-9-22)21-19(26)14-10-16(23)18(25)17(24)11-14/h2-5,10-11,15,23-25H,6-9H2,1H3,(H,21,26)
InChIKeyUGWIISKNHKEDEA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.15
Rot. Bonds3

About 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide

3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108551461) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108551461
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1
InChIInChI=1S/C20H22N2O5/c1-12-2-4-13(5-3-12)20(27)22-8-6-15(7-9-22)21-19(26)14-10-16(23)18(25)17(24)11-14/h2-5,10-11,15,23-25H,6-9H2,1H3,(H,21,26)
InChIKeyUGWIISKNHKEDEA-UHFFFAOYSA-N
XLogP2.15
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
3,4,5-trihydroxy-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108551555
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide (CID 108551461) is 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1.
What is the InChIKey of 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is UGWIISKNHKEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12-2-4-13(5-3-12)20(27)22-8-6-15(7-9-22)21-19(26)14-10-16(23)18(25)17(24)11-14/h2-5,10-11,15,23-25H,6-9H2,1H3,(H,21,26).
What are the key properties of 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide?
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108551461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).