1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one

C28H35ClN2O3 — CID 23641346

IUPAC1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12
InChIInChI=1S/C28H35ClN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22/h7-12,19-20,23H,3-6,13-18H2,1-2H3
InChIKeyWASNFMJKKQAQBN-UHFFFAOYSA-N
MW483.05 g/mol
LogP6.61
Rot. Bonds11

About 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one

1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one (PubChem CID 23641346) has the molecular formula C28H35ClN2O3 and a molecular weight of 483.05 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
PubChem CID23641346
Molecular FormulaC28H35ClN2O3
Molecular Weight483.05 g/mol
Exact Mass482.23
IUPAC Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12
InChIInChI=1S/C28H35ClN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22/h7-12,19-20,23H,3-6,13-18H2,1-2H3
InChIKeyWASNFMJKKQAQBN-UHFFFAOYSA-N
XLogP6.61
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.05
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one (CID 23641346) is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one.
What is the SMILES notation for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The canonical SMILES for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one is CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.
What is the InChIKey of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The InChIKey is WASNFMJKKQAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22/h7-12,19-20,23H,3-6,13-18H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one has a molecular weight of 483.05 g/mol, XLogP of 6.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one is sourced from PubChem (CID 23641346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).