N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide

C27H29N3O2S — CID 46603423

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC1CCN(C(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccs2)CC1
InChIInChI=1S/C27H29N3O2S/c1-19-12-14-29(15-13-19)24(25-11-6-16-33-25)17-28-26(31)18-30-22-9-4-2-7-20(22)27(32)21-8-3-5-10-23(21)30/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,28,31)
InChIKeyLWLVOCIEXYNDFN-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.81
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46603423) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID46603423
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC1CCN(C(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccs2)CC1
InChIInChI=1S/C27H29N3O2S/c1-19-12-14-29(15-13-19)24(25-11-6-16-33-25)17-28-26(31)18-30-22-9-4-2-7-20(22)27(32)21-8-3-5-10-23(21)30/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,28,31)
InChIKeyLWLVOCIEXYNDFN-UHFFFAOYSA-N
XLogP4.81
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-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

Related Compounds

2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51927628
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55349930
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 25389246
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 39969704
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 87000650
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763595
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 46603423) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide is CC1CCN(C(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is LWLVOCIEXYNDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-19-12-14-29(15-13-19)24(25-11-6-16-33-25)17-28-26(31)18-30-22-9-4-2-7-20(22)27(32)21-8-3-5-10-23(21)30/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,28,31).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 459.62 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46603423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).