4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one

C78H78ClF3N20O13 — CID 157052279

IUPAC4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one
SMILESNc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1.O=C(Cc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C28H23F3N4O3.C16H16N4O3.C16H18N4O.C9H10N4O3.C5H3ClN2O2.C4H8N2O/c29-28(30,31)26-25(38-27(33-26)21-9-5-2-6-10-21)22(36)15-20-11-12-23(32-16-20)34-13-14-35(24(37)18-34)17-19-7-3-1-4-8-19;21-16-12-18(15-7-6-14(10-17-15)20(22)23)8-9-19(16)11-13-4-2-1-3-5-13;17-14-6-7-15(18-10-14)19-8-9-20(16(21)12-19)11-13-4-2-1-3-5-13;14-9-6-12(4-3-10-9)8-2-1-7(5-11-8)13(15)16;6-5-2-1-4(3-7-5)8(9)10;7-4-3-5-1-2-6-4/h1-12,16H,13-15,17-18H2;1-7,10H,8-9,11-12H2;1-7,10H,8-9,11-12,17H2;1-2,5H,3-4,6H2,(H,10,14);1-3H;5H,1-3H2,(H,6,7)
InChIKeyAAISKGXJELHASN-UHFFFAOYSA-N
MW1596.06 g/mol
LogP8.66
Rot. Bonds17

About 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one

4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one (PubChem CID 157052279) has the molecular formula C78H78ClF3N20O13 and a molecular weight of 1596.06 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one
PubChem CID157052279
Molecular FormulaC78H78ClF3N20O13
Molecular Weight1596.06 g/mol
Exact Mass1594.57
IUPAC Name4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one
SMILESNc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1.O=C(Cc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C28H23F3N4O3.C16H16N4O3.C16H18N4O.C9H10N4O3.C5H3ClN2O2.C4H8N2O/c29-28(30,31)26-25(38-27(33-26)21-9-5-2-6-10-21)22(36)15-20-11-12-23(32-16-20)34-13-14-35(24(37)18-34)17-19-7-3-1-4-8-19;21-16-12-18(15-7-6-14(10-17-15)20(22)23)8-9-19(16)11-13-4-2-1-3-5-13;17-14-6-7-15(18-10-14)19-8-9-20(16(21)12-19)11-13-4-2-1-3-5-13;14-9-6-12(4-3-10-9)8-2-1-7(5-11-8)13(15)16;6-5-2-1-4(3-7-5)8(9)10;7-4-3-5-1-2-6-4/h1-12,16H,13-15,17-18H2;1-7,10H,8-9,11-12H2;1-7,10H,8-9,11-12,17H2;1-2,5H,3-4,6H2,(H,10,14);1-3H;5H,1-3H2,(H,6,7)
InChIKeyAAISKGXJELHASN-UHFFFAOYSA-N
XLogP8.66
TPSA407.11 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001596.06
LogP ≤ 58.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[4-[(2-chlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 72545310
2-[6-[4-(3-Chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431682
N-(6-(4-(3-chloropyridin-2-yl)piperazin-1-yl)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67409540
N-(6-(2,4-dibenzyl-3-oxopiperazin-1-yl)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67409690
3-[1-(5-amino-2-pyridinyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one
CID 123169589
2-[6-[4-[2-(2,6-Dichlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 123589137
2-[6-[4-[2-(2-Chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123884877
Tert-butyl 4-(5-amino-2-pyridinyl)-1,4-diazepane-1-carboxylate;tert-butyl 4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]-1,4-diazepane-1-carboxylate;2-chloro-5-nitropyridine;2-[6-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;2-[6-(1,4-diazepan-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 157067980
1-(5-Amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one
CID 157407541
1-[1-(5-Amino-2-pyridinyl)azetidin-3-yl]-3-(2-fluorophenyl)urea;1-(2-fluorophenyl)-3-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]azetidin-3-yl]urea
CID 157668760
3-[1-(5-amino-2-pyridinyl)piperidin-4-yl]-1H-benzimidazol-2-one;2-chloro-5-nitropyridine;3-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 157859874
6-(4-Benzylsulfonylpiperidin-1-yl)pyridin-3-amine;2-[6-(4-benzylsulfonylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;2-chloro-5-nitropyridine
CID 158011344

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one?
The IUPAC name of 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one (CID 157052279) is 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one is Nc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1.O=C(Cc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1.O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one?
The InChIKey is AAISKGXJELHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O3.C16H16N4O3.C16H18N4O.C9H10N4O3.C5H3ClN2O2.C4H8N2O/c29-28(30,31)26-25(38-27(33-26)21-9-5-2-6-10-21)22(36)15-20-11-12-23(32-16-20)34-13-14-35(24(37)18-34)17-19-7-3-1-4-8-19;21-16-12-18(15-7-6-14(10-17-15)20(22)23)8-9-19(16)11-13-4-2-1-3-5-13;17-14-6-7-15(18-10-14)19-8-9-20(16(21)12-19)11-13-4-2-1-3-5-13;14-9-6-12(4-3-10-9)8-2-1-7(5-11-8)13(15)16;6-5-2-1-4(3-7-5)8(9)10;7-4-3-5-1-2-6-4/h1-12,16H,13-15,17-18H2;1-7,10H,8-9,11-12H2;1-7,10H,8-9,11-12,17H2;1-2,5H,3-4,6H2,(H,10,14);1-3H;5H,1-3H2,(H,6,7).
What are the key properties of 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one?
4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one has a molecular weight of 1596.06 g/mol, XLogP of 8.66, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one is sourced from PubChem (CID 157052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).