N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide

C17H22FN3O3 — CID 119710946

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1COCCN1
InChIInChI=1S/C17H22FN3O3/c18-14-4-2-1-3-13(14)17(23)21-8-5-12(6-9-21)20-16(22)15-11-24-10-7-19-15/h1-4,12,15,19H,5-11H2,(H,20,22)
InChIKeyAIAHDPPHGMZIHA-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.53
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 119710946) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID119710946
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1COCCN1
InChIInChI=1S/C17H22FN3O3/c18-14-4-2-1-3-13(14)17(23)21-8-5-12(6-9-21)20-16(22)15-11-24-10-7-19-15/h1-4,12,15,19H,5-11H2,(H,20,22)
InChIKeyAIAHDPPHGMZIHA-UHFFFAOYSA-N
XLogP0.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
CID 127366432
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 119785285
N-(1-benzylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 119795822
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide (CID 119710946) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1COCCN1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is AIAHDPPHGMZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-14-4-2-1-3-13(14)17(23)21-8-5-12(6-9-21)20-16(22)15-11-24-10-7-19-15/h1-4,12,15,19H,5-11H2,(H,20,22).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 119710946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).