1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione

C19H19N3O5 — CID 3160489

IUPAC1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H19N3O5/c23-16-9-2-5-12-21(16)17(19(25)20-10-3-1-4-11-20)18(24)14-7-6-8-15(13-14)22(26)27/h2,5-9,12-13,17H,1,3-4,10-11H2
InChIKeyCZZHQCCMSAOTPE-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.19
Rot. Bonds5

About 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione

1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 3160489) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID3160489
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H19N3O5/c23-16-9-2-5-12-21(16)17(19(25)20-10-3-1-4-11-20)18(24)14-7-6-8-15(13-14)22(26)27/h2,5-9,12-13,17H,1,3-4,10-11H2
InChIKeyCZZHQCCMSAOTPE-UHFFFAOYSA-N
XLogP2.19
TPSA102.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
CID 51361843
N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
CID 3523746
1-(4-benzhydrylpiperazin-1-yl)-2-(5-bromo-2-oxo-1-pyridinyl)-3-(3-nitrophenyl)propane-1,3-dione
CID 4118063
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3920071
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 7279155
2-[1-(azepan-1-yl)-3-(3-nitrophenyl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23933938
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
3-nitro-N-[1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55376068
N-[(2S)-1-[(4R)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 94825191
2-(3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 112683085
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione (CID 3160489) is 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione is O=C(c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCCC1)n1ccccc1=O.
What is the InChIKey of 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is CZZHQCCMSAOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-16-9-2-5-12-21(16)17(19(25)20-10-3-1-4-11-20)18(24)14-7-6-8-15(13-14)22(26)27/h2,5-9,12-13,17H,1,3-4,10-11H2.
What are the key properties of 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 369.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 3160489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).