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

C19H30N2O2 — CID 3079307

IUPACN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
SMILESCCOCCN1CC[C@@H](N(C(=O)CC)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C19H30N2O2/c1-4-19(22)21(17-9-7-6-8-10-17)18-11-12-20(15-16(18)3)13-14-23-5-2/h6-10,16,18H,4-5,11-15H2,1-3H3/t16-,18+/m0/s1
InChIKeyDGFMPCXZLVFCAT-FUHWJXTLSA-N
MW318.46 g/mol
LogP3.18
Rot. Bonds7

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

N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide (PubChem CID 3079307) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
PubChem CID3079307
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
SMILESCCOCCN1CC[C@@H](N(C(=O)CC)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C19H30N2O2/c1-4-19(22)21(17-9-7-6-8-10-17)18-11-12-20(15-16(18)3)13-14-23-5-2/h6-10,16,18H,4-5,11-15H2,1-3H3/t16-,18+/m0/s1
InChIKeyDGFMPCXZLVFCAT-FUHWJXTLSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.18
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-phenylpropanamide 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-phenylpropanamide?
The IUPAC name of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide (CID 3079307) is N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide is CCOCCN1CC[C@@H](N(C(=O)CC)c2ccccc2)[C@@H](C)C1.
What is the InChIKey of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide?
The InChIKey is DGFMPCXZLVFCAT-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-19(22)21(17-9-7-6-8-10-17)18-11-12-20(15-16(18)3)13-14-23-5-2/h6-10,16,18H,4-5,11-15H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide?
N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.18, 7 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-phenylpropanamide is sourced from PubChem (CID 3079307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).