N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C17H24FN3O3S — CID 3448158

IUPACN-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-16-5-3-14(4-6-16)13-19-17(22)15-7-11-21(12-8-15)25(23,24)20-9-1-2-10-20/h3-6,15H,1-2,7-13H2,(H,19,22)
InChIKeyAZYYFGCFMSASSG-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.49
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3448158) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3448158
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-16-5-3-14(4-6-16)13-19-17(22)15-7-11-21(12-8-15)25(23,24)20-9-1-2-10-20/h3-6,15H,1-2,7-13H2,(H,19,22)
InChIKeyAZYYFGCFMSASSG-UHFFFAOYSA-N
XLogP1.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3448158) is N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AZYYFGCFMSASSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-16-5-3-14(4-6-16)13-19-17(22)15-7-11-21(12-8-15)25(23,24)20-9-1-2-10-20/h3-6,15H,1-2,7-13H2,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3448158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).