N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide

C24H26FN3O3 — CID 93199501

IUPACN-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c1-2-14-26-23(30)21(27-22(29)18-6-4-3-5-7-18)17-12-15-28(16-13-17)24(31)19-8-10-20(25)11-9-19/h2-11,17,21H,1,12-16H2,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyKPFNNQBBPOBZLR-NRFANRHFSA-N
MW423.49 g/mol
LogP2.78
Rot. Bonds7

About N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide

N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide (PubChem CID 93199501) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
PubChem CID93199501
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c1-2-14-26-23(30)21(27-22(29)18-6-4-3-5-7-18)17-12-15-28(16-13-17)24(31)19-8-10-20(25)11-9-19/h2-11,17,21H,1,12-16H2,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyKPFNNQBBPOBZLR-NRFANRHFSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020368
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
4-fluoro-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840244
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020372
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(prop-2-enylamino)ethyl]benzamide
CID 42840460
N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199509
N-[(1R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199519
4-methoxy-N-[(1S)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93197718
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199002

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide (CID 93199501) is N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide is C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The InChIKey is KPFNNQBBPOBZLR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-14-26-23(30)21(27-22(29)18-6-4-3-5-7-18)17-12-15-28(16-13-17)24(31)19-8-10-20(25)11-9-19/h2-11,17,21H,1,12-16H2,(H,26,30)(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide is sourced from PubChem (CID 93199501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).