N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

C22H26N2O6 — CID 90643793

IUPACN-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(O)c2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21(26)23-15-7-8-16(17(25)13-15)22(27)24-9-5-4-6-10-24/h7-8,11-13,25H,4-6,9-10H2,1-3H3,(H,23,26)
InChIKeyDGFZGQCRQDAHHU-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.30
Rot. Bonds6

About N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 90643793) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID90643793
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(O)c2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21(26)23-15-7-8-16(17(25)13-15)22(27)24-9-5-4-6-10-24/h7-8,11-13,25H,4-6,9-10H2,1-3H3,(H,23,26)
InChIKeyDGFZGQCRQDAHHU-UHFFFAOYSA-N
XLogP3.30
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (CID 90643793) is N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(O)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DGFZGQCRQDAHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21(26)23-15-7-8-16(17(25)13-15)22(27)24-9-5-4-6-10-24/h7-8,11-13,25H,4-6,9-10H2,1-3H3,(H,23,26).
What are the key properties of N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 414.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 90643793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).