N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide

C28H36FN3O3 — CID 58870638

IUPACN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1
InChIInChI=1S/C28H36FN3O3/c1-3-31(4-2)28(34)26(20-8-6-5-7-9-20)21-12-15-32(16-13-21)25-11-10-23(18-24(25)29)30-27(33)22-14-17-35-19-22/h5-11,18,21-22,26H,3-4,12-17,19H2,1-2H3,(H,30,33)
InChIKeyPIERBKCRZATOBV-UHFFFAOYSA-N
MW481.61 g/mol
LogP4.67
Rot. Bonds8

About N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide

N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide (PubChem CID 58870638) has the molecular formula C28H36FN3O3 and a molecular weight of 481.61 g/mol. Its IUPAC name is N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
PubChem CID58870638
Molecular FormulaC28H36FN3O3
Molecular Weight481.61 g/mol
Exact Mass481.27
IUPAC NameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1
InChIInChI=1S/C28H36FN3O3/c1-3-31(4-2)28(34)26(20-8-6-5-7-9-20)21-12-15-32(16-13-21)25-11-10-23(18-24(25)29)30-27(33)22-14-17-35-19-22/h5-11,18,21-22,26H,3-4,12-17,19H2,1-2H3,(H,30,33)
InChIKeyPIERBKCRZATOBV-UHFFFAOYSA-N
XLogP4.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870766
(3S)-N-[4-(4-benzhydrylpiperazin-1-yl)-3-fluorophenyl]oxolane-3-carboxamide
CID 67678449
N,N-diethyl-2-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-phenylacetamide
CID 69324257
[[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluoroanilino]-hydroxymethylidene]-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)azanium
CID 143452929
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 58870720
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide
CID 16667137
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-ethyl-3,4-dihydropyrazole-3-carboxamide
CID 70143517
N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 90316665
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
CID 16667140
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide (CID 58870638) is N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide is CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1.
What is the InChIKey of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide?
The InChIKey is PIERBKCRZATOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O3/c1-3-31(4-2)28(34)26(20-8-6-5-7-9-20)21-12-15-32(16-13-21)25-11-10-23(18-24(25)29)30-27(33)22-14-17-35-19-22/h5-11,18,21-22,26H,3-4,12-17,19H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide?
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide has a molecular weight of 481.61 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide is sourced from PubChem (CID 58870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).