5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid

C15H21N3O4 — CID 146137397

IUPAC5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)C3CCCO3)C2)cn1
InChIInChI=1S/C15H21N3O4/c1-17-7-12(6-16-17)10-5-11(15(20)21)9-18(8-10)14(19)13-3-2-4-22-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyPXPZQXVVFNKMHV-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.62
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid

5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 146137397) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID146137397
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)C3CCCO3)C2)cn1
InChIInChI=1S/C15H21N3O4/c1-17-7-12(6-16-17)10-5-11(15(20)21)9-18(8-10)14(19)13-3-2-4-22-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyPXPZQXVVFNKMHV-UHFFFAOYSA-N
XLogP0.62
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 138031553
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
5-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-3-carboxylic acid
CID 146137403
1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 139020191
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
5-(1-methylpyrazol-4-yl)-1-(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)piperidine-3-carboxylic acid
CID 139020267
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661
5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 167898509
2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 133145210
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 120747151
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid (CID 146137397) is 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid is Cn1cc(C2CC(C(=O)O)CN(C(=O)C3CCCO3)C2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PXPZQXVVFNKMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-17-7-12(6-16-17)10-5-11(15(20)21)9-18(8-10)14(19)13-3-2-4-22-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid?
5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 146137397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).