N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide

C16H23N3O2 — CID 119761707

IUPACN-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H23N3O2/c1-2-5-15(20)18-14-8-4-9-19(11-14)16(21)12-6-3-7-13(17)10-12/h3,6-7,10,14H,2,4-5,8-9,11,17H2,1H3,(H,18,20)
InChIKeySJJHUQANDIWSBE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds4

About N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide

N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide (PubChem CID 119761707) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
PubChem CID119761707
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H23N3O2/c1-2-5-15(20)18-14-8-4-9-19(11-14)16(21)12-6-3-7-13(17)10-12/h3,6-7,10,14H,2,4-5,8-9,11,17H2,1H3,(H,18,20)
InChIKeySJJHUQANDIWSBE-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide (CID 119761707) is N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(C(=O)c2cccc(N)c2)C1.
What is the InChIKey of N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide?
The InChIKey is SJJHUQANDIWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-5-15(20)18-14-8-4-9-19(11-14)16(21)12-6-3-7-13(17)10-12/h3,6-7,10,14H,2,4-5,8-9,11,17H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide?
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide has a molecular weight of 289.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 119761707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).