N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide

C14H16Cl2N2O2 — CID 108942484

IUPACN-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-4-6-11(16)14(10)17-12(19)9-13(20)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,19)
InChIKeyMMUVATYLMMQSHH-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.33
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide

N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108942484) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108942484
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-4-6-11(16)14(10)17-12(19)9-13(20)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,19)
InChIKeyMMUVATYLMMQSHH-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 142710223
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 108942484) is N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide is O=C(CC(=O)N1CCCCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is MMUVATYLMMQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-5-4-6-11(16)14(10)17-12(19)9-13(20)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,19).
What are the key properties of N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 315.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).