N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide

C23H29N3O3 — CID 113062380

IUPACN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(16-13-24-23(28)19-7-6-8-22(17-19)29-2)21-11-9-20(10-12-21)25-14-4-3-5-15-25/h6-12,17H,3-5,13-16H2,1-2H3,(H,24,28)
InChIKeyNHXCQMGJFRRUSK-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide

N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide (PubChem CID 113062380) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
PubChem CID113062380
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(16-13-24-23(28)19-7-6-8-22(17-19)29-2)21-11-9-20(10-12-21)25-14-4-3-5-15-25/h6-12,17H,3-5,13-16H2,1-2H3,(H,24,28)
InChIKeyNHXCQMGJFRRUSK-UHFFFAOYSA-N
XLogP3.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide (CID 113062380) is N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(C(C)=O)c2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide?
The InChIKey is NHXCQMGJFRRUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(27)26(16-13-24-23(28)19-7-6-8-22(17-19)29-2)21-11-9-20(10-12-21)25-14-4-3-5-15-25/h6-12,17H,3-5,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide?
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113062380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).