N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide

C18H28N2O2 — CID 3079306

IUPACN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide
SMILESCCOCCN1CC[C@@H](N(C(C)=O)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C18H28N2O2/c1-4-22-13-12-19-11-10-18(15(2)14-19)20(16(3)21)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3/t15-,18+/m0/s1
InChIKeyPWZUYPVIYCNESV-MAUKXSAKSA-N
MW304.43 g/mol
LogP2.79
Rot. Bonds6

About N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide

N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide (PubChem CID 3079306) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide
PubChem CID3079306
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide
SMILESCCOCCN1CC[C@@H](N(C(C)=O)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C18H28N2O2/c1-4-22-13-12-19-11-10-18(15(2)14-19)20(16(3)21)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3/t15-,18+/m0/s1
InChIKeyPWZUYPVIYCNESV-MAUKXSAKSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide (CID 3079306) is N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide is CCOCCN1CC[C@@H](N(C(C)=O)c2ccccc2)[C@@H](C)C1.
What is the InChIKey of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide?
The InChIKey is PWZUYPVIYCNESV-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-22-13-12-19-11-10-18(15(2)14-19)20(16(3)21)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide?
N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide has a molecular weight of 304.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 3079306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).