N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

C22H26N2O3 — CID 109056550

IUPACN-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H26N2O3/c1-3-27-20-12-5-4-11-19(20)23-21(25)17-9-6-10-18(14-17)22(26)24-13-7-8-16(2)15-24/h4-6,9-12,14,16H,3,7-8,13,15H2,1-2H3,(H,23,25)
InChIKeyDTXYPOOQGOGBOK-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.21
Rot. Bonds5

About N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109056550) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109056550
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H26N2O3/c1-3-27-20-12-5-4-11-19(20)23-21(25)17-9-6-10-18(14-17)22(26)24-13-7-8-16(2)15-24/h4-6,9-12,14,16H,3,7-8,13,15H2,1-2H3,(H,23,25)
InChIKeyDTXYPOOQGOGBOK-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109107562
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (CID 109056550) is N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide is CCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is DTXYPOOQGOGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-20-12-5-4-11-19(20)23-21(25)17-9-6-10-18(14-17)22(26)24-13-7-8-16(2)15-24/h4-6,9-12,14,16H,3,7-8,13,15H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109056550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).