4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide

C17H26N4O2 — CID 166390762

IUPAC4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
SMILESNc1ccc(C(=O)NCCC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C17H26N4O2/c18-15-6-4-14(5-7-15)17(23)20-9-8-16(22)19-10-13-21-11-2-1-3-12-21/h4-7H,1-3,8-13,18H2,(H,19,22)(H,20,23)
InChIKeyLZVLIWVNFPKNHE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.99
Rot. Bonds7

About 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide

4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide (PubChem CID 166390762) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
PubChem CID166390762
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
SMILESNc1ccc(C(=O)NCCC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C17H26N4O2/c18-15-6-4-14(5-7-15)17(23)20-9-8-16(22)19-10-13-21-11-2-1-3-12-21/h4-7H,1-3,8-13,18H2,(H,19,22)(H,20,23)
InChIKeyLZVLIWVNFPKNHE-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline
CID 89382473
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
4-azido-N-(2-piperidin-1-ylethyl)benzamide
CID 86629800
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide?
The IUPAC name of 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide (CID 166390762) is 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide?
The canonical SMILES for 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide is Nc1ccc(C(=O)NCCC(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide?
The InChIKey is LZVLIWVNFPKNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c18-15-6-4-14(5-7-15)17(23)20-9-8-16(22)19-10-13-21-11-2-1-3-12-21/h4-7H,1-3,8-13,18H2,(H,19,22)(H,20,23).
What are the key properties of 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide?
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide is sourced from PubChem (CID 166390762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).