3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide

C26H51ClN6O3 — CID 134321908

IUPAC3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide
SMILESCN(C)CCOCCOC1CCNCC1NC(=O)C(C(N)N)C1CC2(CCCCC2)CCC(Cl)CN1
InChIInChI=1S/C26H51ClN6O3/c1-33(2)12-13-35-14-15-36-22-7-11-30-18-21(22)32-25(34)23(24(28)29)20-16-26(8-4-3-5-9-26)10-6-19(27)17-31-20/h19-24,30-31H,3-18,28-29H2,1-2H3,(H,32,34)
InChIKeyOYZRLELLYIPRMP-UHFFFAOYSA-N
MW531.19 g/mol
LogP0.99
Rot. Bonds11

About 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide

3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide (PubChem CID 134321908) has the molecular formula C26H51ClN6O3 and a molecular weight of 531.19 g/mol. Its IUPAC name is 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide
PubChem CID134321908
Molecular FormulaC26H51ClN6O3
Molecular Weight531.19 g/mol
Exact Mass530.37
IUPAC Name3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide
SMILESCN(C)CCOCCOC1CCNCC1NC(=O)C(C(N)N)C1CC2(CCCCC2)CCC(Cl)CN1
InChIInChI=1S/C26H51ClN6O3/c1-33(2)12-13-35-14-15-36-22-7-11-30-18-21(22)32-25(34)23(24(28)29)20-16-26(8-4-3-5-9-26)10-6-19(27)17-31-20/h19-24,30-31H,3-18,28-29H2,1-2H3,(H,32,34)
InChIKeyOYZRLELLYIPRMP-UHFFFAOYSA-N
XLogP0.99
TPSA126.90 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.19
LogP ≤ 50.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-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

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide?
The IUPAC name of 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide (CID 134321908) is 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide.
What is the SMILES notation for 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide?
The canonical SMILES for 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide is CN(C)CCOCCOC1CCNCC1NC(=O)C(C(N)N)C1CC2(CCCCC2)CCC(Cl)CN1.
What is the InChIKey of 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide?
The InChIKey is OYZRLELLYIPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51ClN6O3/c1-33(2)12-13-35-14-15-36-22-7-11-30-18-21(22)32-25(34)23(24(28)29)20-16-26(8-4-3-5-9-26)10-6-19(27)17-31-20/h19-24,30-31H,3-18,28-29H2,1-2H3,(H,32,34).
What are the key properties of 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide?
3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide has a molecular weight of 531.19 g/mol, XLogP of 0.99, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-2-(11-chloro-9-azaspiro[5.7]tridecan-8-yl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]piperidin-3-yl]propanamide is sourced from PubChem (CID 134321908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).