N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide

C14H18ClN3O2 — CID 28823865

IUPACN-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCN1CCCCC1=O
InChIInChI=1S/C14H18ClN3O2/c15-10-4-5-11(16)12(9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h4-5,9H,1-3,6-8,16H2,(H,17,19)
InChIKeyXLUFJLJTBJNVRM-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.26
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 28823865) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID28823865
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCN1CCCCC1=O
InChIInChI=1S/C14H18ClN3O2/c15-10-4-5-11(16)12(9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h4-5,9H,1-3,6-8,16H2,(H,17,19)
InChIKeyXLUFJLJTBJNVRM-UHFFFAOYSA-N
XLogP2.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
CID 80579081
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide (CID 28823865) is N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide is Nc1ccc(Cl)cc1NC(=O)CCN1CCCCC1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is XLUFJLJTBJNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-4-5-11(16)12(9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h4-5,9H,1-3,6-8,16H2,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 295.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 28823865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).