3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide

C18H27N3O3 — CID 51088877

IUPAC3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide
SMILESCCOCCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-2-24-12-6-7-17(22)20-15-13-14(18(19)23)8-9-16(15)21-10-4-3-5-11-21/h8-9,13H,2-7,10-12H2,1H3,(H2,19,23)(H,20,22)
InChIKeyDFICQFOFURGYQJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.53
Rot. Bonds8

About 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide

3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide (PubChem CID 51088877) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide
PubChem CID51088877
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide
SMILESCCOCCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-2-24-12-6-7-17(22)20-15-13-14(18(19)23)8-9-16(15)21-10-4-3-5-11-21/h8-9,13H,2-7,10-12H2,1H3,(H2,19,23)(H,20,22)
InChIKeyDFICQFOFURGYQJ-UHFFFAOYSA-N
XLogP2.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide (CID 51088877) is 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide is CCOCCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1.
What is the InChIKey of 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide?
The InChIKey is DFICQFOFURGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-24-12-6-7-17(22)20-15-13-14(18(19)23)8-9-16(15)21-10-4-3-5-11-21/h8-9,13H,2-7,10-12H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide?
3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybutanoylamino)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 51088877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).