[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate

C23H30N2O3 — CID 170073744

IUPAC[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate
SMILESCN(CCCOc1ccc(OC(=O)CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-24(20-9-4-2-5-10-20)15-8-18-27-21-11-13-22(14-12-21)28-23(26)19-25-16-6-3-7-17-25/h2,4-5,9-14H,3,6-8,15-19H2,1H3
InChIKeyINBOMYNJDOHFSM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.98
Rot. Bonds9

About [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate

[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate (PubChem CID 170073744) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate
PubChem CID170073744
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate
SMILESCN(CCCOc1ccc(OC(=O)CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-24(20-9-4-2-5-10-20)15-8-18-27-21-11-13-22(14-12-21)28-23(26)19-25-16-6-3-7-17-25/h2,4-5,9-14H,3,6-8,15-19H2,1H3
InChIKeyINBOMYNJDOHFSM-UHFFFAOYSA-N
XLogP3.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate 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

[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
CID 169013825
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
CID 15871812
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide
CID 60503260
phenyl 5-phenoxypentanoate
CID 54534861

Frequently Asked Questions

What is the IUPAC name of [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate?
The IUPAC name of [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate (CID 170073744) is [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate.
What is the SMILES notation for [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate?
The canonical SMILES for [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate is CN(CCCOc1ccc(OC(=O)CN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate?
The InChIKey is INBOMYNJDOHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-24(20-9-4-2-5-10-20)15-8-18-27-21-11-13-22(14-12-21)28-23(26)19-25-16-6-3-7-17-25/h2,4-5,9-14H,3,6-8,15-19H2,1H3.
What are the key properties of [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate?
[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate has a molecular weight of 382.50 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate is sourced from PubChem (CID 170073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).