1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone

C24H26Cl2N2O4 — CID 10277288

IUPAC1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
SMILESCC(=O)n1ccc2cccc(OCC(O)CN3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)c21
InChIInChI=1S/C24H26Cl2N2O4/c1-16(29)28-11-9-17-4-2-6-23(24(17)28)31-15-18(30)13-27-10-3-5-20(14-27)32-19-7-8-21(25)22(26)12-19/h2,4,6-9,11-12,18,20,30H,3,5,10,13-15H2,1H3
InChIKeyFDUBCDDVRPKSDE-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.89
Rot. Bonds7

About 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone

1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone (PubChem CID 10277288) has the molecular formula C24H26Cl2N2O4 and a molecular weight of 477.39 g/mol. Its IUPAC name is 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
PubChem CID10277288
Molecular FormulaC24H26Cl2N2O4
Molecular Weight477.39 g/mol
Exact Mass476.13
IUPAC Name1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
SMILESCC(=O)n1ccc2cccc(OCC(O)CN3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)c21
InChIInChI=1S/C24H26Cl2N2O4/c1-16(29)28-11-9-17-4-2-6-23(24(17)28)31-15-18(30)13-27-10-3-5-20(14-27)32-19-7-8-21(25)22(26)12-19/h2,4,6-9,11-12,18,20,30H,3,5,10,13-15H2,1H3
InChIKeyFDUBCDDVRPKSDE-UHFFFAOYSA-N
XLogP4.89
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
CID 10224508
methyl 2-[[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoyl]amino]acetate
CID 10141592
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
CID 22241244
1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041982
[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]urea;2,2,2-trifluoroacetic acid
CID 171923670
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanamide
CID 10183468
N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide
CID 91321425
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
1-(2-anilinophenoxy)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propan-2-ol;dihydrochloride
CID 70139999
3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 10294850
2-[2-[(2R)-3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 154072204

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone?
The IUPAC name of 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone (CID 10277288) is 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone?
The canonical SMILES for 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone is CC(=O)n1ccc2cccc(OCC(O)CN3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)c21.
What is the InChIKey of 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone?
The InChIKey is FDUBCDDVRPKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O4/c1-16(29)28-11-9-17-4-2-6-23(24(17)28)31-15-18(30)13-27-10-3-5-20(14-27)32-19-7-8-21(25)22(26)12-19/h2,4,6-9,11-12,18,20,30H,3,5,10,13-15H2,1H3.
What are the key properties of 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone?
1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone has a molecular weight of 477.39 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone is sourced from PubChem (CID 10277288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).