N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide

C19H26FN3O3 — CID 93178716

IUPACN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H26FN3O3/c1-3-10-21-19(26)17(14-8-11-23(12-9-14)13(2)24)22-18(25)15-4-6-16(20)7-5-15/h4-7,14,17H,3,8-12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyDACMZEIYHRESGS-KRWDZBQOSA-N
MW363.43 g/mol
LogP1.71
Rot. Bonds6

About N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide

N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide (PubChem CID 93178716) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
PubChem CID93178716
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H26FN3O3/c1-3-10-21-19(26)17(14-8-11-23(12-9-14)13(2)24)22-18(25)15-4-6-16(20)7-5-15/h4-7,14,17H,3,8-12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyDACMZEIYHRESGS-KRWDZBQOSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93178723
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46151859
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
4-fluoro-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840244
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020543
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methoxybenzamide
CID 46019563
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide (CID 93178716) is N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide is CCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The InChIKey is DACMZEIYHRESGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-3-10-21-19(26)17(14-8-11-23(12-9-14)13(2)24)22-18(25)15-4-6-16(20)7-5-15/h4-7,14,17H,3,8-12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide has a molecular weight of 363.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 93178716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).