N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide

C23H28N2O4 — CID 109056485

IUPACN-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H28N2O4/c1-4-19-10-5-6-13-25(19)23(27)17-9-7-8-16(14-17)22(26)24-18-11-12-20(28-2)21(15-18)29-3/h7-9,11-12,14-15,19H,4-6,10,13H2,1-3H3,(H,24,26)
InChIKeyPADWVFOZPWTBLX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.36
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide (PubChem CID 109056485) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
PubChem CID109056485
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H28N2O4/c1-4-19-10-5-6-13-25(19)23(27)17-9-7-8-16(14-17)22(26)24-18-11-12-20(28-2)21(15-18)29-3/h7-9,11-12,14-15,19H,4-6,10,13H2,1-3H3,(H,24,26)
InChIKeyPADWVFOZPWTBLX-UHFFFAOYSA-N
XLogP4.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide (CID 109056485) is N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide is CCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The InChIKey is PADWVFOZPWTBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-19-10-5-6-13-25(19)23(27)17-9-7-8-16(14-17)22(26)24-18-11-12-20(28-2)21(15-18)29-3/h7-9,11-12,14-15,19H,4-6,10,13H2,1-3H3,(H,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109056485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).