N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide

C18H27N3O2 — CID 54814797

IUPACN-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-3-10-19-18(23)15-8-7-9-16(13-15)20-17(22)14-21-11-5-4-6-12-21/h7-9,13H,2-6,10-12,14H2,1H3,(H,19,23)(H,20,22)
InChIKeyWXKWESHHTBOOOK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds7

About N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide

N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide (PubChem CID 54814797) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
PubChem CID54814797
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-3-10-19-18(23)15-8-7-9-16(13-15)20-17(22)14-21-11-5-4-6-12-21/h7-9,13H,2-6,10-12,14H2,1H3,(H,19,23)(H,20,22)
InChIKeyWXKWESHHTBOOOK-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide (CID 54814797) is N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CN2CCCCC2)c1.
What is the InChIKey of N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide?
The InChIKey is WXKWESHHTBOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-3-10-19-18(23)15-8-7-9-16(13-15)20-17(22)14-21-11-5-4-6-12-21/h7-9,13H,2-6,10-12,14H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide?
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 54814797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).