1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C17H21FN2O3 — CID 124614187

IUPAC1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O3/c18-14-3-1-13(2-4-14)17(22)20-8-5-12(6-9-20)16(21)19-15-7-10-23-11-15/h1-4,12,15H,5-11H2,(H,19,21)/t15-/m1/s1
InChIKeyXDEOLFLFSOCKDZ-OAHLLOKOSA-N
MW320.36 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 124614187) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID124614187
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O3/c18-14-3-1-13(2-4-14)17(22)20-8-5-12(6-9-20)16(21)19-15-7-10-23-11-15/h1-4,12,15H,5-11H2,(H,19,21)/t15-/m1/s1
InChIKeyXDEOLFLFSOCKDZ-OAHLLOKOSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569031
N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110868822
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67034838
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 124614187) is 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is O=C(N[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is XDEOLFLFSOCKDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-3-1-13(2-4-14)17(22)20-8-5-12(6-9-20)16(21)19-15-7-10-23-11-15/h1-4,12,15H,5-11H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 124614187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).