N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide

C38H40N2O3 — CID 10438033

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(C1c2ccccc2Oc2ccccc21)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C38H40N2O3/c1-25-13-11-14-26(2)40(25)24-12-23-39-38(41)37(35-27-15-3-7-19-31(27)42-32-20-8-4-16-28(32)35)36-29-17-5-9-21-33(29)43-34-22-10-6-18-30(34)36/h3-10,15-22,25-26,35-37H,11-14,23-24H2,1-2H3,(H,39,41)
InChIKeyHLIYWHMMSCHCFY-UHFFFAOYSA-N
MW572.75 g/mol
LogP8.25
Rot. Bonds7

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide (PubChem CID 10438033) has the molecular formula C38H40N2O3 and a molecular weight of 572.75 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide
PubChem CID10438033
Molecular FormulaC38H40N2O3
Molecular Weight572.75 g/mol
Exact Mass572.30
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(C1c2ccccc2Oc2ccccc21)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C38H40N2O3/c1-25-13-11-14-26(2)40(25)24-12-23-39-38(41)37(35-27-15-3-7-19-31(27)42-32-20-8-4-16-28(32)35)36-29-17-5-9-21-33(29)43-34-22-10-6-18-30(34)36/h3-10,15-22,25-26,35-37H,11-14,23-24H2,1-2H3,(H,39,41)
InChIKeyHLIYWHMMSCHCFY-UHFFFAOYSA-N
XLogP8.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide 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 N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide (CID 10438033) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide is CC1CCCC(C)N1CCCNC(=O)C(C1c2ccccc2Oc2ccccc21)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide?
The InChIKey is HLIYWHMMSCHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O3/c1-25-13-11-14-26(2)40(25)24-12-23-39-38(41)37(35-27-15-3-7-19-31(27)42-32-20-8-4-16-28(32)35)36-29-17-5-9-21-33(29)43-34-22-10-6-18-30(34)36/h3-10,15-22,25-26,35-37H,11-14,23-24H2,1-2H3,(H,39,41).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide has a molecular weight of 572.75 g/mol, XLogP of 8.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 10438033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).