N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C18H28N4O2 — CID 45244300

IUPACN-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)=CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,20,23)
InChIKeyRVRHPSIGYLFWFU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.46
Rot. Bonds5

About N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45244300) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45244300
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)=CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,20,23)
InChIKeyRVRHPSIGYLFWFU-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide
CID 97209246
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652
3-methyl-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25454434
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298
N-{1-[1-(3-methyl-2-butenoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42119764
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 42193324
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
3-methyl-N-(1-{1-[(2-oxo-1-pyrrolidinyl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 42308281

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45244300) is N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)=CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is RVRHPSIGYLFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45244300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).