N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide

C25H33N3O3 — CID 24818401

IUPACN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-2-3-17-31-23-11-9-21(10-12-23)25(30)26-18-24(29)27-22-13-15-28(16-14-22)19-20-7-5-4-6-8-20/h4-12,22H,2-3,13-19H2,1H3,(H,26,30)(H,27,29)
InChIKeyLCNQBCVJISDJER-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.38
Rot. Bonds10

About N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide (PubChem CID 24818401) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
PubChem CID24818401
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-2-3-17-31-23-11-9-21(10-12-23)25(30)26-18-24(29)27-22-13-15-28(16-14-22)19-20-7-5-4-6-8-20/h4-12,22H,2-3,13-19H2,1H3,(H,26,30)(H,27,29)
InChIKeyLCNQBCVJISDJER-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-butoxy-N-[2-[[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 97027635
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 508745
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide (CID 24818401) is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide?
The InChIKey is LCNQBCVJISDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-2-3-17-31-23-11-9-21(10-12-23)25(30)26-18-24(29)27-22-13-15-28(16-14-22)19-20-7-5-4-6-8-20/h4-12,22H,2-3,13-19H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide?
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide has a molecular weight of 423.56 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide is sourced from PubChem (CID 24818401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).