1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

C23H26N2O3 — CID 91918381

IUPAC1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C23H26N2O3/c26-23(21-7-4-8-22-20(21)9-12-24-22)25-13-10-19(11-14-25)28-16-15-27-17-18-5-2-1-3-6-18/h1-9,12,19,24H,10-11,13-17H2
InChIKeyNYUUMLPYYCEDMH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.01
Rot. Bonds7

About 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918381) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918381
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C23H26N2O3/c26-23(21-7-4-8-22-20(21)9-12-24-22)25-13-10-19(11-14-25)28-16-15-27-17-18-5-2-1-3-6-18/h1-9,12,19,24H,10-11,13-17H2
InChIKeyNYUUMLPYYCEDMH-UHFFFAOYSA-N
XLogP4.01
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918384
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
(3R,4S)-4-hydroxy-1-(1H-indole-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 156584797
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788336
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (CID 91918381) is 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is O=C(c1cccc2[nH]ccc12)N1CCC(OCCOCc2ccccc2)CC1.
What is the InChIKey of 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is NYUUMLPYYCEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-23(21-7-4-8-22-20(21)9-12-24-22)25-13-10-19(11-14-25)28-16-15-27-17-18-5-2-1-3-6-18/h1-9,12,19,24H,10-11,13-17H2.
What are the key properties of 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).