4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

C17H30FN3O2 — CID 167938529

IUPAC4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)N1CC(CNC(=O)N2CCC(C(C)(C)F)CC2)CC1=O
InChIInChI=1S/C17H30FN3O2/c1-12(2)21-11-13(9-15(21)22)10-19-16(23)20-7-5-14(6-8-20)17(3,4)18/h12-14H,5-11H2,1-4H3,(H,19,23)
InChIKeyZITDOIRYJJOAOW-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 167938529) has the molecular formula C17H30FN3O2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID167938529
Molecular FormulaC17H30FN3O2
Molecular Weight327.44 g/mol
Exact Mass327.23
IUPAC Name4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)N1CC(CNC(=O)N2CCC(C(C)(C)F)CC2)CC1=O
InChIInChI=1S/C17H30FN3O2/c1-12(2)21-11-13(9-15(21)22)10-19-16(23)20-7-5-14(6-8-20)17(3,4)18/h12-14H,5-11H2,1-4H3,(H,19,23)
InChIKeyZITDOIRYJJOAOW-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (CID 167938529) is 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is CC(C)N1CC(CNC(=O)N2CCC(C(C)(C)F)CC2)CC1=O.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is ZITDOIRYJJOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3O2/c1-12(2)21-11-13(9-15(21)22)10-19-16(23)20-7-5-14(6-8-20)17(3,4)18/h12-14H,5-11H2,1-4H3,(H,19,23).
What are the key properties of 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 327.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 167938529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).