1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C23H24N2O4 — CID 119168568

IUPAC1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H24N2O4/c1-2-29-18-9-8-16-14-20(24-19(16)15-18)21(26)25-12-10-23(11-13-25,22(27)28)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28)
InChIKeyBGOVGYPBNOXPAK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.83
Rot. Bonds5

About 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168568) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168568
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H24N2O4/c1-2-29-18-9-8-16-14-20(24-19(16)15-18)21(26)25-12-10-23(11-13-25,22(27)28)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28)
InChIKeyBGOVGYPBNOXPAK-UHFFFAOYSA-N
XLogP3.83
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55825733
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone
CID 94487538

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 119168568) is 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is CCOc1ccc2cc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is BGOVGYPBNOXPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-29-18-9-8-16-14-20(24-19(16)15-18)21(26)25-12-10-23(11-13-25,22(27)28)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28).
What are the key properties of 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).