N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

C22H29N3O2 — CID 37222450

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-8-4-3-7-18(21)13-14-23-22(26)17-24-19-9-11-20(12-10-19)25-15-5-2-6-16-25/h3-4,7-12,24H,2,5-6,13-17H2,1H3,(H,23,26)
InChIKeyCAOOLYDKNANOSN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 37222450) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID37222450
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-8-4-3-7-18(21)13-14-23-22(26)17-24-19-9-11-20(12-10-19)25-15-5-2-6-16-25/h3-4,7-12,24H,2,5-6,13-17H2,1H3,(H,23,26)
InChIKeyCAOOLYDKNANOSN-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109025321
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
2-(3-acetamidoanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000800
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (CID 37222450) is N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is COc1ccccc1CCNC(=O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is CAOOLYDKNANOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-8-4-3-7-18(21)13-14-23-22(26)17-24-19-9-11-20(12-10-19)25-15-5-2-6-16-25/h3-4,7-12,24H,2,5-6,13-17H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 37222450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).