1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C22H21FN2O4 — CID 119251843

IUPAC1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C22H21FN2O4/c23-17-7-3-1-6-16(17)14-25-18-8-4-2-5-15(18)13-19(25)20(26)24-11-9-22(29,10-12-24)21(27)28/h1-8,13,29H,9-12,14H2,(H,27,28)
InChIKeyVNGJXBNCIQZENN-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251843) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251843
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C22H21FN2O4/c23-17-7-3-1-6-16(17)14-25-18-8-4-2-5-15(18)13-19(25)20(26)24-11-9-22(29,10-12-24)21(27)28/h1-8,13,29H,9-12,14H2,(H,27,28)
InChIKeyVNGJXBNCIQZENN-UHFFFAOYSA-N
XLogP2.88
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylsulfonylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 55774194
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 52528847
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate
CID 56551042
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7260864
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251843) is 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is VNGJXBNCIQZENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c23-17-7-3-1-6-16(17)14-25-18-8-4-2-5-15(18)13-19(25)20(26)24-11-9-22(29,10-12-24)21(27)28/h1-8,13,29H,9-12,14H2,(H,27,28).
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 396.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).