[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate

C24H28N4O8 — CID 18655685

IUPAC[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)C(=O)OC)cn3)CC2)nc1
InChIInChI=1S/C24H28N4O8/c1-15(21(29)33-3)35-23(31)17-5-7-19(25-13-17)27-9-11-28(12-10-27)20-8-6-18(14-26-20)24(32)36-16(2)22(30)34-4/h5-8,13-16H,9-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyHZQYSSATOPBMBZ-HZPDHXFCSA-N
MW500.51 g/mol
LogP1.24
Rot. Bonds8

About [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate

[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 18655685) has the molecular formula C24H28N4O8 and a molecular weight of 500.51 g/mol. Its IUPAC name is [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID18655685
Molecular FormulaC24H28N4O8
Molecular Weight500.51 g/mol
Exact Mass500.19
IUPAC Name[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)C(=O)OC)cn3)CC2)nc1
InChIInChI=1S/C24H28N4O8/c1-15(21(29)33-3)35-23(31)17-5-7-19(25-13-17)27-9-11-28(12-10-27)20-8-6-18(14-26-20)24(32)36-16(2)22(30)34-4/h5-8,13-16H,9-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyHZQYSSATOPBMBZ-HZPDHXFCSA-N
XLogP1.24
TPSA137.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
2-{4-[4-(4,4-Dimethyl-2,6-dioxo-piperidin-1-yl)-butyl]-piperazin-1-yl}-nicotinic acid methyl ester
CID 13771043
Propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 1483238
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
CID 1489435
Isopropyl 2-[4-(4-fluorophenyl)piperazino]nicotinate
CID 4434846
Methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 4640398
ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
CID 44527067
6-[4-(4-Propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 71522268
[1-(4-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487409
[1-(5-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487618
[1-(5-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487843

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate (CID 18655685) is [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate is COC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)C(=O)OC)cn3)CC2)nc1.
What is the InChIKey of [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is HZQYSSATOPBMBZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H28N4O8/c1-15(21(29)33-3)35-23(31)17-5-7-19(25-13-17)27-9-11-28(12-10-27)20-8-6-18(14-26-20)24(32)36-16(2)22(30)34-4/h5-8,13-16H,9-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
[(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 500.51 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-1-oxopropan-2-yl] 6-[4-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 18655685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).