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

C34H52N4O4 — CID 18655689

IUPAC[(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCCCCCC[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)CCCCCCC)cn3)CC2)nc1
InChIInChI=1S/C34H52N4O4/c1-5-7-9-11-13-15-27(3)41-33(39)29-17-19-31(35-25-29)37-21-23-38(24-22-37)32-20-18-30(26-36-32)34(40)42-28(4)16-14-12-10-8-6-2/h17-20,25-28H,5-16,21-24H2,1-4H3/t27-,28-/m1/s1
InChIKeyFQSULRKHRLUHEQ-VSGBNLITSA-N
MW580.81 g/mol
LogP7.61
Rot. Bonds18

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

[(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 18655689) has the molecular formula C34H52N4O4 and a molecular weight of 580.81 g/mol. Its IUPAC name is [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID18655689
Molecular FormulaC34H52N4O4
Molecular Weight580.81 g/mol
Exact Mass580.40
IUPAC Name[(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCCCCCC[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)CCCCCCC)cn3)CC2)nc1
InChIInChI=1S/C34H52N4O4/c1-5-7-9-11-13-15-27(3)41-33(39)29-17-19-31(35-25-29)37-21-23-38(24-22-37)32-20-18-30(26-36-32)34(40)42-28(4)16-14-12-10-8-6-2/h17-20,25-28H,5-16,21-24H2,1-4H3/t27-,28-/m1/s1
InChIKeyFQSULRKHRLUHEQ-VSGBNLITSA-N
XLogP7.61
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.81
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

nonan-2-yl 6-[4-[5-[(2S)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
CID 18655702
[(2S)-1-butoxy-1-oxopropan-2-yl] 6-[4-[5-(1-butoxy-1-oxopropan-2-yl)oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
CID 18655692
heptan-2-yl 4-[4-[4-[(2S)-heptan-2-yl]oxycarbonylphenyl]piperazin-1-yl]benzoate
CID 18655697
didecan-2-yl benzene-1,4-dicarboxylate
CID 91724696
[(2S)-octan-2-yl] 4-[4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 7154596
[(2S)-octan-2-yl] 4-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]benzoate
CID 102491977
[(2R)-octan-2-yl] 4-methylbenzoate
CID 15358408
octan-2-yl 2-(4-octan-2-yloxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 59288938
[(2S)-heptan-2-yl] 4-[4-[4-[(2S)-heptan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 70011621
[(2R)-heptan-2-yl] 6-(4-propylphenyl)pyridine-3-carboxylate
CID 139789920
4-O-decan-2-yl 1-O-ethyl benzene-1,4-dicarboxylate
CID 91727080
4-O-heptan-2-yl 1-O-tridecyl benzene-1,4-dicarboxylate
CID 91724728

Frequently Asked Questions

What is the IUPAC name of [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate (CID 18655689) is [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate is CCCCCCC[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)CCCCCCC)cn3)CC2)nc1.
What is the InChIKey of [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is FQSULRKHRLUHEQ-VSGBNLITSA-N. The full InChI is InChI=1S/C34H52N4O4/c1-5-7-9-11-13-15-27(3)41-33(39)29-17-19-31(35-25-29)37-21-23-38(24-22-37)32-20-18-30(26-36-32)34(40)42-28(4)16-14-12-10-8-6-2/h17-20,25-28H,5-16,21-24H2,1-4H3/t27-,28-/m1/s1.
What are the key properties of [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate?
[(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 580.81 g/mol, XLogP of 7.61, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-nonan-2-yl] 6-[4-[5-[(2R)-nonan-2-yl]oxycarbonyl-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 18655689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).