N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid

C23H36N4O5 — CID 175652876

IUPACN-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
SMILESO=C(CNCCN1CCCCC1)Nc1ccccc1N1CCCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C21H34N4O.C2H2O4/c26-21(18-22-12-17-24-13-6-3-7-14-24)23-19-10-4-5-11-20(19)25-15-8-1-2-9-16-25;3-1(4)2(5)6/h4-5,10-11,22H,1-3,6-9,12-18H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyGCUSSAJRUXTRIV-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid

N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid (PubChem CID 175652876) has the molecular formula C23H36N4O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
PubChem CID175652876
Molecular FormulaC23H36N4O5
Molecular Weight448.56 g/mol
Exact Mass448.27
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
SMILESO=C(CNCCN1CCCCC1)Nc1ccccc1N1CCCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C21H34N4O.C2H2O4/c26-21(18-22-12-17-24-13-6-3-7-14-24)23-19-10-4-5-11-20(19)25-15-8-1-2-9-16-25;3-1(4)2(5)6/h4-5,10-11,22H,1-3,6-9,12-18H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyGCUSSAJRUXTRIV-UHFFFAOYSA-N
XLogP2.24
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid 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-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid
CID 171668727
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide;oxalic acid
CID 171668708
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid (CID 175652876) is N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid is O=C(CNCCN1CCCCC1)Nc1ccccc1N1CCCCCC1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid?
The InChIKey is GCUSSAJRUXTRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O.C2H2O4/c26-21(18-22-12-17-24-13-6-3-7-14-24)23-19-10-4-5-11-20(19)25-15-8-1-2-9-16-25;3-1(4)2(5)6/h4-5,10-11,22H,1-3,6-9,12-18H2,(H,23,26);(H,3,4)(H,5,6).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid?
N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid has a molecular weight of 448.56 g/mol, XLogP of 2.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid is sourced from PubChem (CID 175652876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).