(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide

C17H22N4O2S — CID 100745102

IUPAC(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CCCO1
InChIInChI=1S/C17H22N4O2S/c22-17(14-3-1-9-23-14)18-12-5-7-21(8-6-12)16-11-13(19-20-16)15-4-2-10-24-15/h2,4,10-12,14H,1,3,5-9H2,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyXYCSQBUFJRAZNE-CQSZACIVSA-N
MW346.46 g/mol
LogP2.40
Rot. Bonds4

About (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide

(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 100745102) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID100745102
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CCCO1
InChIInChI=1S/C17H22N4O2S/c22-17(14-3-1-9-23-14)18-12-5-7-21(8-6-12)16-11-13(19-20-16)15-4-2-10-24-15/h2,4,10-12,14H,1,3,5-9H2,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyXYCSQBUFJRAZNE-CQSZACIVSA-N
XLogP2.40
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744723
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91818068
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
3-methyl-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741702
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91818062
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748
5-bromo-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 91888124
5-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 91914597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide (CID 100745102) is (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is XYCSQBUFJRAZNE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-17(14-3-1-9-23-14)18-12-5-7-21(8-6-12)16-11-13(19-20-16)15-4-2-10-24-15/h2,4,10-12,14H,1,3,5-9H2,(H,18,22)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide?
(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 100745102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).