N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide

C19H26N2O5 — CID 108549958

IUPACN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H26N2O5/c22-15-10-13(11-16(23)17(15)24)19(26)21-8-6-14(7-9-21)20-18(25)12-4-2-1-3-5-12/h10-12,14,22-24H,1-9H2,(H,20,25)
InChIKeyJUBFYFUDVDPOSW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 108549958) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID108549958
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H26N2O5/c22-15-10-13(11-16(23)17(15)24)19(26)21-8-6-14(7-9-21)20-18(25)12-4-2-1-3-5-12/h10-12,14,22-24H,1-9H2,(H,20,25)
InChIKeyJUBFYFUDVDPOSW-UHFFFAOYSA-N
XLogP2.10
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
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

N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
N-[1-(2-hydroxy-4-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51127230
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86857648
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide (CID 108549958) is N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is JUBFYFUDVDPOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-15-10-13(11-16(23)17(15)24)19(26)21-8-6-14(7-9-21)20-18(25)12-4-2-1-3-5-12/h10-12,14,22-24H,1-9H2,(H,20,25).
What are the key properties of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108549958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).