N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C25H34FN3O3S — CID 46413986

IUPACN-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Cc1ccccc1
InChIInChI=1S/C25H34FN3O3S/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-27-25(30)21-11-8-16-29(19-21)33(31,32)24-14-12-22(26)13-15-24/h5-7,9-10,12-15,21,23H,3-4,8,11,16-19H2,1-2H3,(H,27,30)
InChIKeyFNGJCIYJPLBLQE-UHFFFAOYSA-N
MW475.63 g/mol
LogP3.30
Rot. Bonds10

About N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 46413986) has the molecular formula C25H34FN3O3S and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID46413986
Molecular FormulaC25H34FN3O3S
Molecular Weight475.63 g/mol
Exact Mass475.23
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Cc1ccccc1
InChIInChI=1S/C25H34FN3O3S/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-27-25(30)21-11-8-16-29(19-21)33(31,32)24-14-12-22(26)13-15-24/h5-7,9-10,12-15,21,23H,3-4,8,11,16-19H2,1-2H3,(H,27,30)
InChIKeyFNGJCIYJPLBLQE-UHFFFAOYSA-N
XLogP3.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
(3S)-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40917264
(3R)-N-[3-(benzylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41062304
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009380
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55484095
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 51887575
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-(2-benzylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 50947150

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 46413986) is N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCN(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FNGJCIYJPLBLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O3S/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-27-25(30)21-11-8-16-29(19-21)33(31,32)24-14-12-22(26)13-15-24/h5-7,9-10,12-15,21,23H,3-4,8,11,16-19H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 475.63 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46413986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).