1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone

C25H29ClN2O3 — CID 23641668

IUPAC1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C25H29ClN2O3/c1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3
InChIKeyOZHLRDKJFNBIOC-UHFFFAOYSA-N
MW440.97 g/mol
LogP5.44
Rot. Bonds8

About 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone (PubChem CID 23641668) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone
PubChem CID23641668
Molecular FormulaC25H29ClN2O3
Molecular Weight440.97 g/mol
Exact Mass440.19
IUPAC Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C25H29ClN2O3/c1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3
InChIKeyOZHLRDKJFNBIOC-UHFFFAOYSA-N
XLogP5.44
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 55.44
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-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone (CID 23641668) is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone?
The InChIKey is OZHLRDKJFNBIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O3/c1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone?
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone has a molecular weight of 440.97 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 23641668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).