[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C15H21FN4O2 — CID 110875994

IUPAC[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCn1nccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C15H21FN4O2/c1-18-12(5-6-17-18)15(22)20-10-11(16)9-13(20)14(21)19-7-3-2-4-8-19/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyKLZKIYSHCPLRRR-AAEUAGOBSA-N
MW308.36 g/mol
LogP0.99
Rot. Bonds2

About [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110875994) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID110875994
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCn1nccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C15H21FN4O2/c1-18-12(5-6-17-18)15(22)20-10-11(16)9-13(20)14(21)19-7-3-2-4-8-19/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyKLZKIYSHCPLRRR-AAEUAGOBSA-N
XLogP0.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 110875994) is [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is Cn1nccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is KLZKIYSHCPLRRR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-18-12(5-6-17-18)15(22)20-10-11(16)9-13(20)14(21)19-7-3-2-4-8-19/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 308.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110875994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).