1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C18H21N3O4 — CID 56890003

IUPAC1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(COCc1ccccc1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H21N3O4/c22-16(14-25-13-15-5-2-1-3-6-15)20-11-7-18(8-12-20,17(23)24)21-10-4-9-19-21/h1-6,9-10H,7-8,11-14H2,(H,23,24)
InChIKeyQFJJBSHZRZMXGA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.50
Rot. Bonds6

About 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56890003) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56890003
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(COCc1ccccc1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H21N3O4/c22-16(14-25-13-15-5-2-1-3-6-15)20-11-7-18(8-12-20,17(23)24)21-10-4-9-19-21/h1-6,9-10H,7-8,11-14H2,(H,23,24)
InChIKeyQFJJBSHZRZMXGA-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 56895278
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845
1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95882974
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914290
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 56891314
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56890003) is 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(COCc1ccccc1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is QFJJBSHZRZMXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16(14-25-13-15-5-2-1-3-6-15)20-11-7-18(8-12-20,17(23)24)21-10-4-9-19-21/h1-6,9-10H,7-8,11-14H2,(H,23,24).
What are the key properties of 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56890003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).