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

C16H22FN3O2 — CID 110875960

IUPAC[(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCn1cccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H22FN3O2/c1-18-7-5-6-13(18)16(22)20-11-12(17)10-14(20)15(21)19-8-3-2-4-9-19/h5-7,12,14H,2-4,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyFYWIFHGYLPSSGA-JSGCOSHPSA-N
MW307.37 g/mol
LogP1.59
Rot. Bonds2

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

[(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110875960) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID110875960
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name[(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCn1cccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H22FN3O2/c1-18-7-5-6-13(18)16(22)20-11-12(17)10-14(20)15(21)19-8-3-2-4-9-19/h5-7,12,14H,2-4,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyFYWIFHGYLPSSGA-JSGCOSHPSA-N
XLogP1.59
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 110875960) is [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is Cn1cccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is FYWIFHGYLPSSGA-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-18-7-5-6-13(18)16(22)20-11-12(17)10-14(20)15(21)19-8-3-2-4-9-19/h5-7,12,14H,2-4,8-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 307.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110875960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).