3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C25H34N2O4 — CID 2945862

IUPAC3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O4/c1-4-29-22-16-20(17-23(30-5-2)24(22)31-6-3)25(28)26-21-12-10-19(11-13-21)18-27-14-8-7-9-15-27/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H,26,28)
InChIKeyKFHOJGBKWPOMHM-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.12
Rot. Bonds10

About 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 2945862) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID2945862
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O4/c1-4-29-22-16-20(17-23(30-5-2)24(22)31-6-3)25(28)26-21-12-10-19(11-13-21)18-27-14-8-7-9-15-27/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H,26,28)
InChIKeyKFHOJGBKWPOMHM-UHFFFAOYSA-N
XLogP5.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 3310069
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CID 7375733
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-chloro-4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3316284
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 2945862) is 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is KFHOJGBKWPOMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-4-29-22-16-20(17-23(30-5-2)24(22)31-6-3)25(28)26-21-12-10-19(11-13-21)18-27-14-8-7-9-15-27/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H,26,28).
What are the key properties of 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 2945862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).