3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

C23H30N2O4 — CID 45205527

IUPAC3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCCN(CCc3ccccc3)C2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-14-18(15-21(28-2)22(20)29-3)23(26)24-19-10-7-12-25(16-19)13-11-17-8-5-4-6-9-17/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3,(H,24,26)
InChIKeyGLLQEXYQRDMBPU-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.15
Rot. Bonds8

About 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide (PubChem CID 45205527) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
PubChem CID45205527
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCCN(CCc3ccccc3)C2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-14-18(15-21(28-2)22(20)29-3)23(26)24-19-10-7-12-25(16-19)13-11-17-8-5-4-6-9-17/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3,(H,24,26)
InChIKeyGLLQEXYQRDMBPU-UHFFFAOYSA-N
XLogP3.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]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

[1-(2-phenylethyl)piperidin-3-yl]methanol;3,4,5-trimethoxybenzoic acid
CID 71439560
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
methyl 3-[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 25486979
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 56715324
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide (CID 45205527) is 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide is COc1cc(C(=O)NC2CCCN(CCc3ccccc3)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide?
The InChIKey is GLLQEXYQRDMBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-20-14-18(15-21(28-2)22(20)29-3)23(26)24-19-10-7-12-25(16-19)13-11-17-8-5-4-6-9-17/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide?
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 45205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).