(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid

C16H23N3O4 — CID 154788478

IUPAC(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)CCn3cccn3)CC2)O1
InChIInChI=1S/C16H23N3O4/c20-15(6-11-19-8-1-7-17-19)18-9-4-12(5-10-18)13-2-3-14(23-13)16(21)22/h1,7-8,12-14H,2-6,9-11H2,(H,21,22)/t13-,14+/m0/s1
InChIKeyWHBFOQLTJRCXET-UONOGXRCSA-N
MW321.38 g/mol
LogP1.14
Rot. Bonds5

About (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 154788478) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
PubChem CID154788478
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)CCn3cccn3)CC2)O1
InChIInChI=1S/C16H23N3O4/c20-15(6-11-19-8-1-7-17-19)18-9-4-12(5-10-18)13-2-3-14(23-13)16(21)22/h1,7-8,12-14H,2-6,9-11H2,(H,21,22)/t13-,14+/m0/s1
InChIKeyWHBFOQLTJRCXET-UONOGXRCSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 111434248
1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
CID 103247153

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid (CID 154788478) is (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)CCn3cccn3)CC2)O1.
What is the InChIKey of (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The InChIKey is WHBFOQLTJRCXET-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-15(6-11-19-8-1-7-17-19)18-9-4-12(5-10-18)13-2-3-14(23-13)16(21)22/h1,7-8,12-14H,2-6,9-11H2,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 154788478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).