4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine

C37H53N7O — CID 130222972

IUPAC4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine
SMILESCC(C)c1ccc(C[C@H](C)c2ccc(C[C@H](C)c3cccnc3N3CCNCC3)nc2N2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C37H53N7O/c1-27(2)32-12-10-30(40-36(32)44-21-23-45-24-22-44)26-29(4)34-13-11-31(41-37(34)42-17-6-5-7-18-42)25-28(3)33-9-8-14-39-35(33)43-19-15-38-16-20-43/h8-14,27-29,38H,5-7,15-26H2,1-4H3/t28-,29-/m0/s1
InChIKeyGDMBGSXUYCGESP-VMPREFPWSA-N
MW611.88 g/mol
LogP5.92
Rot. Bonds10

About 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine

4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine (PubChem CID 130222972) has the molecular formula C37H53N7O and a molecular weight of 611.88 g/mol. Its IUPAC name is 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine
PubChem CID130222972
Molecular FormulaC37H53N7O
Molecular Weight611.88 g/mol
Exact Mass611.43
IUPAC Name4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine
SMILESCC(C)c1ccc(C[C@H](C)c2ccc(C[C@H](C)c3cccnc3N3CCNCC3)nc2N2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C37H53N7O/c1-27(2)32-12-10-30(40-36(32)44-21-23-45-24-22-44)26-29(4)34-13-11-31(41-37(34)42-17-6-5-7-18-42)25-28(3)33-9-8-14-39-35(33)43-19-15-38-16-20-43/h8-14,27-29,38H,5-7,15-26H2,1-4H3/t28-,29-/m0/s1
InChIKeyGDMBGSXUYCGESP-VMPREFPWSA-N
XLogP5.92
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.88
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine (CID 130222972) is 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine is CC(C)c1ccc(C[C@H](C)c2ccc(C[C@H](C)c3cccnc3N3CCNCC3)nc2N2CCCCC2)nc1N1CCOCC1.
What is the InChIKey of 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine?
The InChIKey is GDMBGSXUYCGESP-VMPREFPWSA-N. The full InChI is InChI=1S/C37H53N7O/c1-27(2)32-12-10-30(40-36(32)44-21-23-45-24-22-44)26-29(4)34-13-11-31(41-37(34)42-17-6-5-7-18-42)25-28(3)33-9-8-14-39-35(33)43-19-15-38-16-20-43/h8-14,27-29,38H,5-7,15-26H2,1-4H3/t28-,29-/m0/s1.
What are the key properties of 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine?
4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine has a molecular weight of 611.88 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-2-[6-[(2S)-2-(2-piperazin-1-yl-3-pyridinyl)propyl]-2-piperidin-1-yl-3-pyridinyl]propyl]-3-propan-2-yl-2-pyridinyl]morpholine is sourced from PubChem (CID 130222972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).