N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

C25H29F2N3O3 — CID 93178757

IUPACN-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29F2N3O3/c1-3-29(4-2)25(33)22(28-23(31)18-5-9-20(26)10-6-18)17-13-15-30(16-14-17)24(32)19-7-11-21(27)12-8-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31)/t22-/m0/s1
InChIKeyMYLYOHCDJLTZGO-QFIPXVFZSA-N
MW457.52 g/mol
LogP3.48
Rot. Bonds7

About N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 93178757) has the molecular formula C25H29F2N3O3 and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID93178757
Molecular FormulaC25H29F2N3O3
Molecular Weight457.52 g/mol
Exact Mass457.22
IUPAC NameN-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29F2N3O3/c1-3-29(4-2)25(33)22(28-23(31)18-5-9-20(26)10-6-18)17-13-15-30(16-14-17)24(32)19-7-11-21(27)12-8-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31)/t22-/m0/s1
InChIKeyMYLYOHCDJLTZGO-QFIPXVFZSA-N
XLogP3.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
N-[(1S)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178875
N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 97496241
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 93196622
N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178892
N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014688
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (CID 93178757) is N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is MYLYOHCDJLTZGO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29F2N3O3/c1-3-29(4-2)25(33)22(28-23(31)18-5-9-20(26)10-6-18)17-13-15-30(16-14-17)24(32)19-7-11-21(27)12-8-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 457.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 93178757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).