ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate

C16H29N3O5 — CID 138044979

IUPACethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
SMILESCCCNC(=O)C1CCCN(C(=O)NCCOCC(=O)OCC)C1
InChIInChI=1S/C16H29N3O5/c1-3-7-17-15(21)13-6-5-9-19(11-13)16(22)18-8-10-23-12-14(20)24-4-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBYTZUNCMPXNAIX-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.51
Rot. Bonds9

About ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate

ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate (PubChem CID 138044979) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
PubChem CID138044979
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Nameethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
SMILESCCCNC(=O)C1CCCN(C(=O)NCCOCC(=O)OCC)C1
InChIInChI=1S/C16H29N3O5/c1-3-7-17-15(21)13-6-5-9-19(11-13)16(22)18-8-10-23-12-14(20)24-4-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBYTZUNCMPXNAIX-UHFFFAOYSA-N
XLogP0.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate 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

2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
1-(2-hydroxycyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide
CID 110014381
N-[2-(2-amino-2-oxoethoxy)ethyl]piperidine-1-carboxamide
CID 103816389
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate (CID 138044979) is ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate is CCCNC(=O)C1CCCN(C(=O)NCCOCC(=O)OCC)C1.
What is the InChIKey of ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate?
The InChIKey is BYTZUNCMPXNAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-3-7-17-15(21)13-6-5-9-19(11-13)16(22)18-8-10-23-12-14(20)24-4-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate?
ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate has a molecular weight of 343.42 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate is sourced from PubChem (CID 138044979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).