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

C13H15Cl2N3O2 — CID 142710223

IUPACN-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-10-5-4-9(13(15)17-10)16-11(19)8-12(20)18-6-2-1-3-7-18/h4-5H,1-3,6-8H2,(H,16,19)
InChIKeyNJHYOQTWTNOHSL-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.73
Rot. Bonds3

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

N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 142710223) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID142710223
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-10-5-4-9(13(15)17-10)16-11(19)8-12(20)18-6-2-1-3-7-18/h4-5H,1-3,6-8H2,(H,16,19)
InChIKeyNJHYOQTWTNOHSL-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 66546864
3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754
N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942484
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
2-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2782101
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
CID 66546115
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 142710223) is N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide is O=C(CC(=O)N1CCCCC1)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is NJHYOQTWTNOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-10-5-4-9(13(15)17-10)16-11(19)8-12(20)18-6-2-1-3-7-18/h4-5H,1-3,6-8H2,(H,16,19).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide?
N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 316.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 142710223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).