N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide

C19H28N2O4 — CID 95287547

IUPACN-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
SMILESC[C@H]1CCCCN1C(=O)CCNC(=O)COCCOc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-16-7-5-6-12-21(16)19(23)10-11-20-18(22)15-24-13-14-25-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyBGBWRZLCHYTSNA-INIZCTEOSA-N
MW348.44 g/mol
LogP1.99
Rot. Bonds9

About N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide

N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 95287547) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID95287547
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
SMILESC[C@H]1CCCCN1C(=O)CCNC(=O)COCCOc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-16-7-5-6-12-21(16)19(23)10-11-20-18(22)15-24-13-14-25-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyBGBWRZLCHYTSNA-INIZCTEOSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide 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

N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-phenylmethoxyacetamide
CID 95286453
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine
CID 111005811
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
ethane;formamide;1-(2-methylpyrrolidin-1-yl)-5-phenoxypentan-1-one
CID 163226216
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94820338
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
2-benzyl-1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110953802
N'-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961532
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
N-[2-(methanesulfonamido)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47034582

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide (CID 95287547) is N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide is C[C@H]1CCCCN1C(=O)CCNC(=O)COCCOc1ccccc1.
What is the InChIKey of N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is BGBWRZLCHYTSNA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-16-7-5-6-12-21(16)19(23)10-11-20-18(22)15-24-13-14-25-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide?
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 348.44 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 95287547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).