N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide

C25H30FN3O3 — CID 46020543

IUPACN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-14-27-24(31)22(28-23(30)19-10-8-17(2)9-11-19)18-12-15-29(16-13-18)25(32)20-6-4-5-7-21(20)26/h4-11,18,22H,3,12-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyKQIQVQASFDTKQD-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.31
Rot. Bonds7

About N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide

N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide (PubChem CID 46020543) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
PubChem CID46020543
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-14-27-24(31)22(28-23(30)19-10-8-17(2)9-11-19)18-12-15-29(16-13-18)25(32)20-6-4-5-7-21(20)26/h4-11,18,22H,3,12-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyKQIQVQASFDTKQD-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methoxybenzamide
CID 46019816
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196655
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
4-methoxy-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93197682
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 42840448
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197437
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199002
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide (CID 46020543) is N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide is CCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The InChIKey is KQIQVQASFDTKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-3-14-27-24(31)22(28-23(30)19-10-8-17(2)9-11-19)18-12-15-29(16-13-18)25(32)20-6-4-5-7-21(20)26/h4-11,18,22H,3,12-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide has a molecular weight of 439.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 46020543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).