N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide

C21H24N2O3 — CID 109044668

IUPACN-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-19-12-10-18(11-13-19)22-20(24)16-6-8-17(9-7-16)21(25)23-14-4-3-5-15-23/h6-13H,2-5,14-15H2,1H3,(H,22,24)
InChIKeyUNTODIJLUWNUQD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.96
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide

N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide (PubChem CID 109044668) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
PubChem CID109044668
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-19-12-10-18(11-13-19)22-20(24)16-6-8-17(9-7-16)21(25)23-14-4-3-5-15-23/h6-13H,2-5,14-15H2,1H3,(H,22,24)
InChIKeyUNTODIJLUWNUQD-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide (CID 109044668) is N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide is CCOc1ccc(NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide?
The InChIKey is UNTODIJLUWNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-19-12-10-18(11-13-19)22-20(24)16-6-8-17(9-7-16)21(25)23-14-4-3-5-15-23/h6-13H,2-5,14-15H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide?
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).