1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one

C19H31FN4O3 — CID 138046482

IUPAC1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one
SMILESCC(C)(F)C(=O)N1CCCC(N2CCN(C(=O)CN3CCCC3)CC2=O)C1
InChIInChI=1S/C19H31FN4O3/c1-19(2,20)18(27)23-9-5-6-15(12-23)24-11-10-22(14-17(24)26)16(25)13-21-7-3-4-8-21/h15H,3-14H2,1-2H3
InChIKeyGFXUKWKOTFWFLH-UHFFFAOYSA-N
MW382.48 g/mol
LogP0.49
Rot. Bonds4

About 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one

1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one (PubChem CID 138046482) has the molecular formula C19H31FN4O3 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one
PubChem CID138046482
Molecular FormulaC19H31FN4O3
Molecular Weight382.48 g/mol
Exact Mass382.24
IUPAC Name1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one
SMILESCC(C)(F)C(=O)N1CCCC(N2CCN(C(=O)CN3CCCC3)CC2=O)C1
InChIInChI=1S/C19H31FN4O3/c1-19(2,20)18(27)23-9-5-6-15(12-23)24-11-10-22(14-17(24)26)16(25)13-21-7-3-4-8-21/h15H,3-14H2,1-2H3
InChIKeyGFXUKWKOTFWFLH-UHFFFAOYSA-N
XLogP0.49
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The IUPAC name of 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one (CID 138046482) is 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one is CC(C)(F)C(=O)N1CCCC(N2CCN(C(=O)CN3CCCC3)CC2=O)C1.
What is the InChIKey of 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The InChIKey is GFXUKWKOTFWFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O3/c1-19(2,20)18(27)23-9-5-6-15(12-23)24-11-10-22(14-17(24)26)16(25)13-21-7-3-4-8-21/h15H,3-14H2,1-2H3.
What are the key properties of 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one?
1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one has a molecular weight of 382.48 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 138046482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).