N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide

C26H35N3O2 — CID 54471905

IUPACN-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCCCCNC(=O)c1ccc(C(C(=O)NCC)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O2/c1-3-5-17-28-25(30)21-15-13-20(14-16-21)24(26(31)27-4-2)22-11-7-8-12-23(22)29-18-9-6-10-19-29/h7-8,11-16,24H,3-6,9-10,17-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyXIYHKLQMHXJNDU-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.47
Rot. Bonds9

About N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide

N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide (PubChem CID 54471905) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide
PubChem CID54471905
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCCCCNC(=O)c1ccc(C(C(=O)NCC)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O2/c1-3-5-17-28-25(30)21-15-13-20(14-16-21)24(26(31)27-4-2)22-11-7-8-12-23(22)29-18-9-6-10-19-29/h7-8,11-16,24H,3-6,9-10,17-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyXIYHKLQMHXJNDU-UHFFFAOYSA-N
XLogP4.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide
CID 54482045
sodium 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
CID 70417455
2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
CID 57192962
4-[1-(5-amino-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid
CID 54031071
4-[1-(5-acetamido-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid
CID 70417583
ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
CID 54107897
ethyl 4-[2-(ethylamino)-1-(5-iodo-2-piperidin-1-ylphenyl)-2-oxoethyl]benzoate
CID 54555579
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109051202
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
N-butyl-4-phenylbenzamide
CID 3637649
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide (CID 54471905) is N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide is CCCCNC(=O)c1ccc(C(C(=O)NCC)c2ccccc2N2CCCCC2)cc1.
What is the InChIKey of N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is XIYHKLQMHXJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-3-5-17-28-25(30)21-15-13-20(14-16-21)24(26(31)27-4-2)22-11-7-8-12-23(22)29-18-9-6-10-19-29/h7-8,11-16,24H,3-6,9-10,17-19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide?
N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 54471905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).