N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide

C28H38FN3O4S — CID 42880687

IUPACN-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1)S(=O)(=O)CCC
InChIInChI=1S/C28H38FN3O4S/c1-3-16-31(37(35,36)19-4-2)22-28(34)32(21-24-10-12-25(29)13-11-24)26-14-17-30(18-15-26)27(33)20-23-8-6-5-7-9-23/h5-13,26H,3-4,14-22H2,1-2H3
InChIKeyUVGJAIDYYJHSBV-UHFFFAOYSA-N
MW531.69 g/mol
LogP3.84
Rot. Bonds12

About N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (PubChem CID 42880687) has the molecular formula C28H38FN3O4S and a molecular weight of 531.69 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
PubChem CID42880687
Molecular FormulaC28H38FN3O4S
Molecular Weight531.69 g/mol
Exact Mass531.26
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1)S(=O)(=O)CCC
InChIInChI=1S/C28H38FN3O4S/c1-3-16-31(37(35,36)19-4-2)22-28(34)32(21-24-10-12-25(29)13-11-24)26-14-17-30(18-15-26)27(33)20-23-8-6-5-7-9-23/h5-13,26H,3-4,14-22H2,1-2H3
InChIKeyUVGJAIDYYJHSBV-UHFFFAOYSA-N
XLogP3.84
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.69
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 46108714
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440
N-[1-(4-bromobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108778
N-butyl-4-[(4-fluorophenyl)methyl-[2-[propyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108893
N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108758
2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 46108750
N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108294
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 42880683
N-[(4-chlorophenyl)methyl]-N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-[2-methoxyethyl(propylsulfonyl)amino]acetamide
CID 46108268
N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108496

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (CID 42880687) is N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1)S(=O)(=O)CCC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The InChIKey is UVGJAIDYYJHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O4S/c1-3-16-31(37(35,36)19-4-2)22-28(34)32(21-24-10-12-25(29)13-11-24)26-14-17-30(18-15-26)27(33)20-23-8-6-5-7-9-23/h5-13,26H,3-4,14-22H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide has a molecular weight of 531.69 g/mol, XLogP of 3.84, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 42880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).