1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one

C25H29ClN2O2 — CID 58967722

IUPAC1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C25H29ClN2O2/c1-2-24(29)21-18-28(23-10-5-3-8-20(21)23)15-7-14-27-16-12-19(13-17-27)30-25-11-6-4-9-22(25)26/h3-6,8-11,18-19H,2,7,12-17H2,1H3
InChIKeyWRJLAOFTHQZHJV-UHFFFAOYSA-N
MW424.97 g/mol
LogP5.82
Rot. Bonds8

About 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one

1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one (PubChem CID 58967722) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
PubChem CID58967722
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C25H29ClN2O2/c1-2-24(29)21-18-28(23-10-5-3-8-20(21)23)15-7-14-27-16-12-19(13-17-27)30-25-11-6-4-9-22(25)26/h3-6,8-11,18-19H,2,7,12-17H2,1H3
InChIKeyWRJLAOFTHQZHJV-UHFFFAOYSA-N
XLogP5.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.97
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one (CID 58967722) is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?
The InChIKey is WRJLAOFTHQZHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c1-2-24(29)21-18-28(23-10-5-3-8-20(21)23)15-7-14-27-16-12-19(13-17-27)30-25-11-6-4-9-22(25)26/h3-6,8-11,18-19H,2,7,12-17H2,1H3.
What are the key properties of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one has a molecular weight of 424.97 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 58967722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).