3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide

C20H32N2O5 — CID 110642916

IUPAC3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NOCCN2CCCCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O5/c1-4-24-17-14-16(15-18(25-5-2)19(17)26-6-3)20(23)21-27-13-12-22-10-8-7-9-11-22/h14-15H,4-13H2,1-3H3,(H,21,23)
InChIKeyVSDLTFWLHZUVPK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.03
Rot. Bonds11

About 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide

3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 110642916) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
PubChem CID110642916
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NOCCN2CCCCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O5/c1-4-24-17-14-16(15-18(25-5-2)19(17)26-6-3)20(23)21-27-13-12-22-10-8-7-9-11-22/h14-15H,4-13H2,1-3H3,(H,21,23)
InChIKeyVSDLTFWLHZUVPK-UHFFFAOYSA-N
XLogP3.03
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642888
3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
CID 110417493
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502348
3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110643022
3-ethoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 20993050
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
ethyl (3R)-1-[(3,4,5-triethoxybenzoyl)carbamothioyl]piperidine-3-carboxylate
CID 41100694
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
3-amino-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 82057247
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide (CID 110642916) is 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)NOCCN2CCCCC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is VSDLTFWLHZUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-4-24-17-14-16(15-18(25-5-2)19(17)26-6-3)20(23)21-27-13-12-22-10-8-7-9-11-22/h14-15H,4-13H2,1-3H3,(H,21,23).
What are the key properties of 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide?
3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).