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

C25H29ClFN3O3 — CID 46014668

IUPACN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClFN3O3/c1-3-29(4-2)25(33)22(28-23(31)18-7-11-21(27)12-8-18)17-13-15-30(16-14-17)24(32)19-5-9-20(26)10-6-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31)
InChIKeyASNQZZAEINDQFN-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.00
Rot. Bonds7

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

N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46014668) has the molecular formula C25H29ClFN3O3 and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID46014668
Molecular FormulaC25H29ClFN3O3
Molecular Weight473.98 g/mol
Exact Mass473.19
IUPAC NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClFN3O3/c1-3-29(4-2)25(33)22(28-23(31)18-7-11-21(27)12-8-18)17-13-15-30(16-14-17)24(32)19-5-9-20(26)10-6-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31)
InChIKeyASNQZZAEINDQFN-UHFFFAOYSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.00
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-fluorobenzamide
CID 93178757
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
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)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178892
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-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46151701
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide (CID 46014668) is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide is CCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ASNQZZAEINDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O3/c1-3-29(4-2)25(33)22(28-23(31)18-7-11-21(27)12-8-18)17-13-15-30(16-14-17)24(32)19-5-9-20(26)10-6-19/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide?
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 473.98 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).