3,4,5-trimethoxy-N-piperidin-3-ylbenzamide

C15H22N2O4 — CID 5597

IUPAC3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyYSIITVVESCNIPR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.19
Rot. Bonds5

About 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide

3,4,5-trimethoxy-N-piperidin-3-ylbenzamide (PubChem CID 5597) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
PubChem CID5597
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyYSIITVVESCNIPR-UHFFFAOYSA-N
XLogP1.19
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethobenzamide
CID 5577
Trimethobenzamide Hydrochloride
CID 68385
Trimetozine
CID 12478
Opiranserin
CID 71566778
3,4,5-Trimethoxybenzamide
CID 18334
Trocimine
CID 26650
Capobenic Acid
CID 30627
N,N'-Bis(3,4,5-trimethoxylbenzoyl)-2-piperizinylmethyl 2,2-dimethylpropanoate
CID 131088
Carbamic acid, (1,1-dimethylethyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 457881
Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 460131
Carbamic acid, (2,2-dimethylpropyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 462400
Carbamic acid, butyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 3013157

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide (CID 5597) is 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide is COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide?
The InChIKey is YSIITVVESCNIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide?
3,4,5-trimethoxy-N-piperidin-3-ylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 5597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).