2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid

C23H24N2O3 — CID 119177873

IUPAC2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H24N2O3/c26-22(27)14-17-10-12-24(13-11-17)23(28)20-16-25(15-18-6-2-1-3-7-18)21-9-5-4-8-19(20)21/h1-9,16-17H,10-15H2,(H,26,27)
InChIKeyQQFCHSDDXLRBRY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds5

About 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 119177873) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID119177873
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H24N2O3/c26-22(27)14-17-10-12-24(13-11-17)23(28)20-16-25(15-18-6-2-1-3-7-18)21-9-5-4-8-19(20)21/h1-9,16-17H,10-15H2,(H,26,27)
InChIKeyQQFCHSDDXLRBRY-UHFFFAOYSA-N
XLogP4.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
1-(4-benzylpiperidin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173436
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532971
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid (CID 119177873) is 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is QQFCHSDDXLRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(27)14-17-10-12-24(13-11-17)23(28)20-16-25(15-18-6-2-1-3-7-18)21-9-5-4-8-19(20)21/h1-9,16-17H,10-15H2,(H,26,27).
What are the key properties of 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 376.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).