N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide

C20H31N3O3 — CID 55909398

IUPACN-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-26-15-5-11-22-20(25)18-9-13-23(14-10-18)16-19(24)21-12-8-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,24)(H,22,25)
InChIKeyVDGKNEVWPHXDBL-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.21
Rot. Bonds10

About N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 55909398) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
PubChem CID55909398
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-26-15-5-11-22-20(25)18-9-13-23(14-10-18)16-19(24)21-12-8-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,24)(H,22,25)
InChIKeyVDGKNEVWPHXDBL-UHFFFAOYSA-N
XLogP1.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide 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-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902359
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
tert-butyl 4-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 55946757
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
CID 87012839

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide (CID 55909398) is N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is VDGKNEVWPHXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-26-15-5-11-22-20(25)18-9-13-23(14-10-18)16-19(24)21-12-8-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55909398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).