1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

C20H20N4O3 — CID 122088823

IUPAC1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1
InChIInChI=1S/C20H20N4O3/c25-19(26)15-5-3-11-23(13-15)20(27)22-16-7-9-17(10-8-16)24-18-6-2-1-4-14(18)12-21-24/h1-2,4,6-10,12,15H,3,5,11,13H2,(H,22,27)(H,25,26)
InChIKeyXVVWLRYZLKTAKP-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.35
Rot. Bonds3

About 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122088823) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122088823
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1
InChIInChI=1S/C20H20N4O3/c25-19(26)15-5-3-11-23(13-15)20(27)22-16-7-9-17(10-8-16)24-18-6-2-1-4-14(18)12-21-24/h1-2,4,6-10,12,15H,3,5,11,13H2,(H,22,27)(H,25,26)
InChIKeyXVVWLRYZLKTAKP-UHFFFAOYSA-N
XLogP3.35
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074299
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122079098
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266

Frequently Asked Questions

What is the IUPAC name of 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122088823) is 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1.
What is the InChIKey of 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XVVWLRYZLKTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(26)15-5-3-11-23(13-15)20(27)22-16-7-9-17(10-8-16)24-18-6-2-1-4-14(18)12-21-24/h1-2,4,6-10,12,15H,3,5,11,13H2,(H,22,27)(H,25,26).
What are the key properties of 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122088823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).