4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one

C64H69BrN18O11 — CID 160688100

IUPAC4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCNC(=O)C2)cn1.O=C1CN(c2ccc([N+](=O)[O-])nc2)CCN1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Br)cn1
InChIInChI=1S/C23H23N5O2.C14H13NO2.C9H10N4O3.C9H12N4O.C5H3BrN2O2.C4H8N2O/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;14-9-6-12(4-3-10-9)7-1-2-8(11-5-7)13(15)16;10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13;6-4-1-2-5(7-3-4)8(9)10;7-4-3-5-1-2-6-4/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29);2-8H,9H2,1H3,(H,16,17);1-2,5H,3-4,6H2,(H,10,14);1-2,5H,3-4,6H2,(H2,10,12)(H,11,14);1-3H;5H,1-3H2,(H,6,7)
InChIKeyRPAPBMZLSMTBEF-UHFFFAOYSA-N
MW1346.27 g/mol
LogP5.24
Rot. Bonds12

About 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one

4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one (PubChem CID 160688100) has the molecular formula C64H69BrN18O11 and a molecular weight of 1346.27 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one
PubChem CID160688100
Molecular FormulaC64H69BrN18O11
Molecular Weight1346.27 g/mol
Exact Mass1344.46
IUPAC Name4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCNC(=O)C2)cn1.O=C1CN(c2ccc([N+](=O)[O-])nc2)CCN1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Br)cn1
InChIInChI=1S/C23H23N5O2.C14H13NO2.C9H10N4O3.C9H12N4O.C5H3BrN2O2.C4H8N2O/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;14-9-6-12(4-3-10-9)7-1-2-8(11-5-7)13(15)16;10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13;6-4-1-2-5(7-3-4)8(9)10;7-4-3-5-1-2-6-4/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29);2-8H,9H2,1H3,(H,16,17);1-2,5H,3-4,6H2,(H,10,14);1-2,5H,3-4,6H2,(H2,10,12)(H,11,14);1-3H;5H,1-3H2,(H,6,7)
InChIKeyRPAPBMZLSMTBEF-UHFFFAOYSA-N
XLogP5.24
TPSA394.19 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.27
LogP ≤ 55.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one?
The IUPAC name of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one (CID 160688100) is 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one?
The canonical SMILES for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCNC(=O)C2)cn1.O=C1CN(c2ccc([N+](=O)[O-])nc2)CCN1.O=C1CNCCN1.O=[N+]([O-])c1ccc(Br)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one?
The InChIKey is RPAPBMZLSMTBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.C14H13NO2.C9H10N4O3.C9H12N4O.C5H3BrN2O2.C4H8N2O/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;14-9-6-12(4-3-10-9)7-1-2-8(11-5-7)13(15)16;10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13;6-4-1-2-5(7-3-4)8(9)10;7-4-3-5-1-2-6-4/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29);2-8H,9H2,1H3,(H,16,17);1-2,5H,3-4,6H2,(H,10,14);1-2,5H,3-4,6H2,(H2,10,12)(H,11,14);1-3H;5H,1-3H2,(H,6,7).
What are the key properties of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one?
4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one has a molecular weight of 1346.27 g/mol, XLogP of 5.24, 12 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one;piperazin-2-one is sourced from PubChem (CID 160688100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).