4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide

C14H25FN4O4S — CID 11682084

IUPAC4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCC1(NCC(=O)N2CC(F)CC2C(N)=O)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25FN4O4S/c1-14(3-5-18(6-4-14)24(2,22)23)17-8-12(20)19-9-10(15)7-11(19)13(16)21/h10-11,17H,3-9H2,1-2H3,(H2,16,21)
InChIKeyPXGYHTKXELSVIS-UHFFFAOYSA-N
MW364.44 g/mol
LogP-1.19
Rot. Bonds5

About 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide

4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 11682084) has the molecular formula C14H25FN4O4S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID11682084
Molecular FormulaC14H25FN4O4S
Molecular Weight364.44 g/mol
Exact Mass364.16
IUPAC Name4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCC1(NCC(=O)N2CC(F)CC2C(N)=O)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25FN4O4S/c1-14(3-5-18(6-4-14)24(2,22)23)17-8-12(20)19-9-10(15)7-11(19)13(16)21/h10-11,17H,3-9H2,1-2H3,(H2,16,21)
InChIKeyPXGYHTKXELSVIS-UHFFFAOYSA-N
XLogP-1.19
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide (CID 11682084) is 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide is CC1(NCC(=O)N2CC(F)CC2C(N)=O)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is PXGYHTKXELSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4O4S/c1-14(3-5-18(6-4-14)24(2,22)23)17-8-12(20)19-9-10(15)7-11(19)13(16)21/h10-11,17H,3-9H2,1-2H3,(H2,16,21).
What are the key properties of 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide?
4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11682084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).