3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide

C22H44FN5O2 — CID 123436808

IUPAC3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide
SMILESCCOC1CCNCC1NC(=O)C(C(N)N)C1CC(C)(CC)CCCC(F)CN1C
InChIInChI=1S/C22H44FN5O2/c1-5-22(3)10-7-8-15(23)14-28(4)17(12-22)19(20(24)25)21(29)27-16-13-26-11-9-18(16)30-6-2/h15-20,26H,5-14,24-25H2,1-4H3,(H,27,29)
InChIKeyWPYYBKJPUPTZLS-UHFFFAOYSA-N
MW429.63 g/mol
LogP1.36
Rot. Bonds7

About 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide

3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide (PubChem CID 123436808) has the molecular formula C22H44FN5O2 and a molecular weight of 429.63 g/mol. Its IUPAC name is 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide.

Molecular Properties

Compound Name3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide
PubChem CID123436808
Molecular FormulaC22H44FN5O2
Molecular Weight429.63 g/mol
Exact Mass429.35
IUPAC Name3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide
SMILESCCOC1CCNCC1NC(=O)C(C(N)N)C1CC(C)(CC)CCCC(F)CN1C
InChIInChI=1S/C22H44FN5O2/c1-5-22(3)10-7-8-15(23)14-28(4)17(12-22)19(20(24)25)21(29)27-16-13-26-11-9-18(16)30-6-2/h15-20,26H,5-14,24-25H2,1-4H3,(H,27,29)
InChIKeyWPYYBKJPUPTZLS-UHFFFAOYSA-N
XLogP1.36
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide 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

3,3-diamino-2-(10-fluoro-8-azaspiro[4.8]tridecan-7-yl)-N-[5-fluoro-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]piperidin-3-yl]propanamide
CID 123376530
3,3-diamino-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 123518862
3,3-diamino-2-(1,4-diethyl-8-fluoro-4-methylazonan-2-yl)-N-[5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 123726688
3,3-diamino-2-(1,8-diethyl-6-fluoro-4-methyl-4-azabicyclo[6.1.0]nonan-3-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 123825797
3,3-diamino-2-(1,8-diethyl-6-fluoro-4-methyl-4-azabicyclo[6.1.0]nonan-3-yl)-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 123878829
3,3-diamino-2-(11-fluoro-9-azaspiro[5.8]tetradecan-8-yl)-N-[5-fluoro-4-[4-(3-methoxypyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 123928016
3,3-diamino-2-(7-ethyl-3-fluoro-1-azabicyclo[5.2.2]undecan-9-yl)-N-[5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 123928805
3,3-diamino-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)-N-[4-[1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-yl]propanamide
CID 123978924
3,3-diamino-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]propanamide
CID 138645274
3,3-diamino-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)-N-[4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]piperidin-3-yl]propanamide
CID 155150689
3,3-diamino-2-(4-ethyl-7-fluoro-4-propylazocan-2-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 155150788
3,3-diamino-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]propanamide
CID 155150859

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide?
The IUPAC name of 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide (CID 123436808) is 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide.
What is the SMILES notation for 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide?
The canonical SMILES for 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide is CCOC1CCNCC1NC(=O)C(C(N)N)C1CC(C)(CC)CCCC(F)CN1C.
What is the InChIKey of 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide?
The InChIKey is WPYYBKJPUPTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44FN5O2/c1-5-22(3)10-7-8-15(23)14-28(4)17(12-22)19(20(24)25)21(29)27-16-13-26-11-9-18(16)30-6-2/h15-20,26H,5-14,24-25H2,1-4H3,(H,27,29).
What are the key properties of 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide?
3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide has a molecular weight of 429.63 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-N-(4-ethoxypiperidin-3-yl)-2-(4-ethyl-8-fluoro-1,4-dimethylazonan-2-yl)propanamide is sourced from PubChem (CID 123436808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).