N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide

C15H20N4O3 — CID 113026042

IUPACN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=CN1CCN(c2ccc(NC(=O)C3CCCO3)nc2)CC1
InChIInChI=1S/C15H20N4O3/c20-11-18-5-7-19(8-6-18)12-3-4-14(16-10-12)17-15(21)13-2-1-9-22-13/h3-4,10-11,13H,1-2,5-9H2,(H,16,17,21)
InChIKeyHDPMCCVWDAOYBN-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds4

About N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113026042) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113026042
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=CN1CCN(c2ccc(NC(=O)C3CCCO3)nc2)CC1
InChIInChI=1S/C15H20N4O3/c20-11-18-5-7-19(8-6-18)12-3-4-14(16-10-12)17-15(21)13-2-1-9-22-13/h3-4,10-11,13H,1-2,5-9H2,(H,16,17,21)
InChIKeyHDPMCCVWDAOYBN-UHFFFAOYSA-N
XLogP0.48
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyridinyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970509
Pentanedioic acid cyclohexylcarbamoylmethyl-(tetrahydro-furan-2-ylmethyl)-amide pyridin-2-ylamide
CID 645755
N-Pyridin-2-yl-N'-(tetrahydro-furan-2-ylmethyl)-N'-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 651646
2-anilino-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234921
(S)-N-(1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl)tetrahydrofuran-2-carboxamide
CID 44573332
N-[(2-Methoxy-ethylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 645482
N'-(2-methoxyethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204891
2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234655
US11591331, Example 103
CID 167845033
Pyrido(3,4-b)pyrazin-2(1H)-one, 1-(2-morpholinoethyl)-3-methyl-
CID 3070228
4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-2-methyl-5-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3087183
4-(Pyridin-2-ylcarbamoyl)-butyric acid cyclopentylcarbamoylmethyl ester
CID 647213

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide (CID 113026042) is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide is O=CN1CCN(c2ccc(NC(=O)C3CCCO3)nc2)CC1.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is HDPMCCVWDAOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-11-18-5-7-19(8-6-18)12-3-4-14(16-10-12)17-15(21)13-2-1-9-22-13/h3-4,10-11,13H,1-2,5-9H2,(H,16,17,21).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113026042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).