4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide

C15H22ClN3O — CID 119829370

IUPAC4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
SMILESNCCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-12-6-7-14(19-9-2-1-3-10-19)13(11-12)18-15(20)5-4-8-17/h6-7,11H,1-5,8-10,17H2,(H,18,20)
InChIKeyWCOYHYKTUGQQMY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.01
Rot. Bonds5

About 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide

4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide (PubChem CID 119829370) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
PubChem CID119829370
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
SMILESNCCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-12-6-7-14(19-9-2-1-3-10-19)13(11-12)18-15(20)5-4-8-17/h6-7,11H,1-5,8-10,17H2,(H,18,20)
InChIKeyWCOYHYKTUGQQMY-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
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N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide (CID 119829370) is 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide is NCCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide?
The InChIKey is WCOYHYKTUGQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-12-6-7-14(19-9-2-1-3-10-19)13(11-12)18-15(20)5-4-8-17/h6-7,11H,1-5,8-10,17H2,(H,18,20).
What are the key properties of 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide?
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide has a molecular weight of 295.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 119829370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).