(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one

C14H18N4O3 — CID 97250167

IUPAC(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H]([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1
InChIInChI=1S/C14H18N4O3/c19-13-8-10(9-16-13)11-4-1-2-7-17(11)14-12(18(20)21)5-3-6-15-14/h3,5-6,10-11H,1-2,4,7-9H2,(H,16,19)/t10-,11-/m1/s1
InChIKeyXEHTUGNHZUCQHA-GHMZBOCLSA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds3

About (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one

(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one (PubChem CID 97250167) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
PubChem CID97250167
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H]([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1
InChIInChI=1S/C14H18N4O3/c19-13-8-10(9-16-13)11-4-1-2-7-17(11)14-12(18(20)21)5-3-6-15-14/h3,5-6,10-11H,1-2,4,7-9H2,(H,16,19)/t10-,11-/m1/s1
InChIKeyXEHTUGNHZUCQHA-GHMZBOCLSA-N
XLogP1.48
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dinitrophenyl)piperidin-2-yl]pyrrolidin-2-one
CID 75436444
3-[1-(3-nitro-2-pyridinyl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 133280198
2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine
CID 133272284
2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
CID 97014461
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
2-[1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61371100
(2R)-2-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95617552
tert-butyl N-[[(2S)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174207
cis-(1R,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423837
cis-(1S,2S)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423839
2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 126815933
trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423838

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one (CID 97250167) is (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one is O=C1C[C@@H]([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])CN1.
What is the InChIKey of (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one?
The InChIKey is XEHTUGNHZUCQHA-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-13-8-10(9-16-13)11-4-1-2-7-17(11)14-12(18(20)21)5-3-6-15-14/h3,5-6,10-11H,1-2,4,7-9H2,(H,16,19)/t10-,11-/m1/s1.
What are the key properties of (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one?
(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 97250167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).