4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide

C16H24N4O — CID 63356577

IUPAC4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C16H24N4O/c17-14-5-4-12(16(18)21)10-15(14)20-9-6-13(11-20)19-7-2-1-3-8-19/h4-5,10,13H,1-3,6-9,11,17H2,(H2,18,21)
InChIKeyOGFGJKPDLXONFV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.43
Rot. Bonds3

About 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide

4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide (PubChem CID 63356577) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
PubChem CID63356577
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C16H24N4O/c17-14-5-4-12(16(18)21)10-15(14)20-9-6-13(11-20)19-7-2-1-3-8-19/h4-5,10,13H,1-3,6-9,11,17H2,(H2,18,21)
InChIKeyOGFGJKPDLXONFV-UHFFFAOYSA-N
XLogP1.43
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide?
The IUPAC name of 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide (CID 63356577) is 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide is NC(=O)c1ccc(N)c(N2CCC(N3CCCCC3)C2)c1.
What is the InChIKey of 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide?
The InChIKey is OGFGJKPDLXONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-14-5-4-12(16(18)21)10-15(14)20-9-6-13(11-20)19-7-2-1-3-8-19/h4-5,10,13H,1-3,6-9,11,17H2,(H2,18,21).
What are the key properties of 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide?
4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 63356577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).