diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine

C60H66I2N8O11V — CID 159186905

IUPACdiiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine
SMILESI[V]I.NOC1CCCCO1.O=C(NOC1CCCCO1)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1
InChIInChI=1S/C30H32N4O5.C25H23N3O4.C5H11NO2.2HI.V/c35-29(32-39-28-11-5-6-18-37-28)21-12-13-27(31-19-21)33-14-16-34(17-15-33)30(36)38-20-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26;29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;6-8-5-3-1-2-4-7-5;;;/h1-4,7-10,12-13,19,26,28H,5-6,11,14-18,20H2,(H,32,35);1-10,15,22H,11-14,16H2,(H,29,30);5H,1-4,6H2;2*1H;/q;;;;;+2/p-2
InChIKeyKNPIBRRGCIPKIB-UHFFFAOYSA-L
MW1379.98 g/mol
LogP10.36
Rot. Bonds11

About diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine

diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine (PubChem CID 159186905) has the molecular formula C60H66I2N8O11V and a molecular weight of 1379.98 g/mol. Its IUPAC name is diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine.

Molecular Properties

Compound Namediiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine
PubChem CID159186905
Molecular FormulaC60H66I2N8O11V
Molecular Weight1379.98 g/mol
Exact Mass1379.24
IUPAC Namediiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine
SMILESI[V]I.NOC1CCCCO1.O=C(NOC1CCCCO1)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1
InChIInChI=1S/C30H32N4O5.C25H23N3O4.C5H11NO2.2HI.V/c35-29(32-39-28-11-5-6-18-37-28)21-12-13-27(31-19-21)33-14-16-34(17-15-33)30(36)38-20-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26;29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;6-8-5-3-1-2-4-7-5;;;/h1-4,7-10,12-13,19,26,28H,5-6,11,14-18,20H2,(H,32,35);1-10,15,22H,11-14,16H2,(H,29,30);5H,1-4,6H2;2*1H;/q;;;;;+2/p-2
InChIKeyKNPIBRRGCIPKIB-UHFFFAOYSA-L
XLogP10.36
TPSA220.68 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.98
LogP ≤ 510.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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 diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine?
The IUPAC name of diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine (CID 159186905) is diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine.
What is the SMILES notation for diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine?
The canonical SMILES for diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine is I[V]I.NOC1CCCCO1.O=C(NOC1CCCCO1)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.
What is the InChIKey of diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine?
The InChIKey is KNPIBRRGCIPKIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H32N4O5.C25H23N3O4.C5H11NO2.2HI.V/c35-29(32-39-28-11-5-6-18-37-28)21-12-13-27(31-19-21)33-14-16-34(17-15-33)30(36)38-20-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26;29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;6-8-5-3-1-2-4-7-5;;;/h1-4,7-10,12-13,19,26,28H,5-6,11,14-18,20H2,(H,32,35);1-10,15,22H,11-14,16H2,(H,29,30);5H,1-4,6H2;2*1H;/q;;;;;+2/p-2.
What are the key properties of diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine?
diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine has a molecular weight of 1379.98 g/mol, XLogP of 10.36, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;O-(oxan-2-yl)hydroxylamine is sourced from PubChem (CID 159186905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).