N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

C22H27FN2O3S — CID 26292191

IUPACN-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O3S/c1-2-14-24(17-18-8-4-3-5-9-18)22(26)19-12-15-25(16-13-19)29(27,28)21-11-7-6-10-20(21)23/h3-11,19H,2,12-17H2,1H3
InChIKeyNPQXELAGNMRSFK-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.67
Rot. Bonds7

About N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (PubChem CID 26292191) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
PubChem CID26292191
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O3S/c1-2-14-24(17-18-8-4-3-5-9-18)22(26)19-12-15-25(16-13-19)29(27,28)21-11-7-6-10-20(21)23/h3-11,19H,2,12-17H2,1H3
InChIKeyNPQXELAGNMRSFK-UHFFFAOYSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
N-benzyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292172
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 55726709
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (CID 26292191) is N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is CCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The InChIKey is NPQXELAGNMRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-2-14-24(17-18-8-4-3-5-9-18)22(26)19-12-15-25(16-13-19)29(27,28)21-11-7-6-10-20(21)23/h3-11,19H,2,12-17H2,1H3.
What are the key properties of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 26292191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).