2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone

C22H28N2O2 — CID 54828029

IUPAC2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1cccc(OCCCc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(24-14-5-2-6-15-24)18-23-20-12-7-13-21(17-20)26-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,12-13,17,23H,2,5-6,8,11,14-16,18H2
InChIKeyMNHDXGNINOIDKY-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.12
Rot. Bonds8

About 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone

2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone (PubChem CID 54828029) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone
PubChem CID54828029
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1cccc(OCCCc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(24-14-5-2-6-15-24)18-23-20-12-7-13-21(17-20)26-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,12-13,17,23H,2,5-6,8,11,14-16,18H2
InChIKeyMNHDXGNINOIDKY-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-(3-propoxyanilino)ethanone
CID 54824937
N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54828224
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone (CID 54828029) is 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone is O=C(CNc1cccc(OCCCc2ccccc2)c1)N1CCCCC1.
What is the InChIKey of 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone?
The InChIKey is MNHDXGNINOIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(24-14-5-2-6-15-24)18-23-20-12-7-13-21(17-20)26-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,12-13,17,23H,2,5-6,8,11,14-16,18H2.
What are the key properties of 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone?
2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone has a molecular weight of 352.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 54828029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).