4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one

C69H89ClN20O11 — CID 158564912

IUPAC4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one
SMILESC.C.C.C.C.Nc1ccc(N2CCNC(=O)C2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(N2CCNC(=O)C2)ccc1[N+](=O)[O-].O=C1CN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCN1.O=C1CNCCN1.O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N5O2.C14H12O2.C9H11N5O3.C9H13N5O.C5H4ClN3O2.C4H8N2O.5CH4/c29-21-14-28(13-12-24-21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;10-9-6(14(16)17)1-2-7(12-9)13-4-3-11-8(15)5-13;10-6-1-2-7(13-9(6)11)14-4-3-12-8(15)5-14;6-4-2-1-3(9(10)11)5(7)8-4;7-4-3-5-1-2-6-4;;;;;/h1-11H,12-15H2,(H,24,29)(H,25,26,27);1-10H,11H2;1-2H,3-5H2,(H2,10,12)(H,11,15);1-2H,3-5,10H2,(H2,11,13)(H,12,15);1-2H,(H2,7,8);5H,1-3H2,(H,6,7);5*1H4
InChIKeyHRISKAYUKHUQPA-UHFFFAOYSA-N
MW1410.05 g/mol
LogP8.02
Rot. Bonds13

About 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one

4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one (PubChem CID 158564912) has the molecular formula C69H89ClN20O11 and a molecular weight of 1410.05 g/mol. Its IUPAC name is 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one.

Molecular Properties

Compound Name4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one
PubChem CID158564912
Molecular FormulaC69H89ClN20O11
Molecular Weight1410.05 g/mol
Exact Mass1408.67
IUPAC Name4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one
SMILESC.C.C.C.C.Nc1ccc(N2CCNC(=O)C2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(N2CCNC(=O)C2)ccc1[N+](=O)[O-].O=C1CN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCN1.O=C1CNCCN1.O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N5O2.C14H12O2.C9H11N5O3.C9H13N5O.C5H4ClN3O2.C4H8N2O.5CH4/c29-21-14-28(13-12-24-21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;10-9-6(14(16)17)1-2-7(12-9)13-4-3-11-8(15)5-13;10-6-1-2-7(13-9(6)11)14-4-3-12-8(15)5-14;6-4-2-1-3(9(10)11)5(7)8-4;7-4-3-5-1-2-6-4;;;;;/h1-11H,12-15H2,(H,24,29)(H,25,26,27);1-10H,11H2;1-2H,3-5H2,(H2,10,12)(H,11,15);1-2H,3-5,10H2,(H2,11,13)(H,12,15);1-2H,(H2,7,8);5H,1-3H2,(H,6,7);5*1H4
InChIKeyHRISKAYUKHUQPA-UHFFFAOYSA-N
XLogP8.02
TPSA444.28 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001410.05
LogP ≤ 58.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one?
The IUPAC name of 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one (CID 158564912) is 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one.
What is the SMILES notation for 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one?
The canonical SMILES for 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one is C.C.C.C.C.Nc1ccc(N2CCNC(=O)C2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(N2CCNC(=O)C2)ccc1[N+](=O)[O-].O=C1CN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCN1.O=C1CNCCN1.O=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one?
The InChIKey is HRISKAYUKHUQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C14H12O2.C9H11N5O3.C9H13N5O.C5H4ClN3O2.C4H8N2O.5CH4/c29-21-14-28(13-12-24-21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;10-9-6(14(16)17)1-2-7(12-9)13-4-3-11-8(15)5-13;10-6-1-2-7(13-9(6)11)14-4-3-12-8(15)5-14;6-4-2-1-3(9(10)11)5(7)8-4;7-4-3-5-1-2-6-4;;;;;/h1-11H,12-15H2,(H,24,29)(H,25,26,27);1-10H,11H2;1-2H,3-5H2,(H2,10,12)(H,11,15);1-2H,3-5,10H2,(H2,11,13)(H,12,15);1-2H,(H2,7,8);5H,1-3H2,(H,6,7);5*1H4.
What are the key properties of 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one?
4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one has a molecular weight of 1410.05 g/mol, XLogP of 8.02, 13 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-nitro-2-pyridinyl)piperazin-2-one;6-chloro-3-nitropyridin-2-amine;4-(5,6-diamino-2-pyridinyl)piperazin-2-one;methane;4-phenylmethoxybenzaldehyde;4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-2-one;piperazin-2-one is sourced from PubChem (CID 158564912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).