N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

C23H31N3O — CID 108999041

IUPACN-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-3-25(18-20-7-5-4-6-8-20)23(27)17-24-21-9-11-22(12-10-21)26-15-13-19(2)14-16-26/h4-12,19,24H,3,13-18H2,1-2H3
InChIKeyIPKVIQSBIPPLJZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.38
Rot. Bonds7

About N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (PubChem CID 108999041) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
PubChem CID108999041
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-3-25(18-20-7-5-4-6-8-20)23(27)17-24-21-9-11-22(12-10-21)26-15-13-19(2)14-16-26/h4-12,19,24H,3,13-18H2,1-2H3
InChIKeyIPKVIQSBIPPLJZ-UHFFFAOYSA-N
XLogP4.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109003553
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (CID 108999041) is N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is CCN(Cc1ccccc1)C(=O)CNc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The InChIKey is IPKVIQSBIPPLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-25(18-20-7-5-4-6-8-20)23(27)17-24-21-9-11-22(12-10-21)26-15-13-19(2)14-16-26/h4-12,19,24H,3,13-18H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 108999041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).