1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one

C26H32N2O2 — CID 24720536

IUPAC1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCOCCn1cc(C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O2/c1-2-30-19-18-28-20-24(23-10-6-7-11-25(23)28)22-14-16-27(17-15-22)26(29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,2,12-19H2,1H3
InChIKeyIRYNOTZXCKTRJK-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.02
Rot. Bonds8

About 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 24720536) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID24720536
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCOCCn1cc(C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O2/c1-2-30-19-18-28-20-24(23-10-6-7-11-25(23)28)22-14-16-27(17-15-22)26(29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,2,12-19H2,1H3
InChIKeyIRYNOTZXCKTRJK-UHFFFAOYSA-N
XLogP5.02
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11282005
2-[4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 11259138
3-[4-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethyl]phenyl]prop-2-enoyl 3-[4-[2-[4-(1-pentylindol-3-yl)piperidin-1-yl]ethyl]phenyl]prop-2-enoate
CID 173241689
3,5-dibromo-2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11238716
2-[3-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]phenyl]acetic acid;2-[3-[3-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 158898592
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
CID 11268835
3-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1-(2-ethoxyethyl)indole
CID 46090001
4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]benzonitrile
CID 23444823
1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 46028730
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
(E)-3-[4-[2-[4-(1-pentylindol-3-yl)piperidin-1-yl]ethyl]phenyl]prop-2-enoic acid
CID 23444897

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 24720536) is 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one is CCOCCn1cc(C2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IRYNOTZXCKTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-2-30-19-18-28-20-24(23-10-6-7-11-25(23)28)22-14-16-27(17-15-22)26(29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,2,12-19H2,1H3.
What are the key properties of 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 404.55 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 24720536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).