1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C19H23FN2O2 — CID 94518651

IUPAC1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN2O2/c1-14(23)22-9-3-6-18(22)19(24)21-10-7-15(8-11-21)12-16-4-2-5-17(20)13-16/h2,4-5,12-13,18H,3,6-11H2,1H3/t18-/m1/s1
InChIKeyMFMVGNULTSNNDG-GOSISDBHSA-N
MW330.40 g/mol
LogP2.84
Rot. Bonds2

About 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 94518651) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID94518651
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN2O2/c1-14(23)22-9-3-6-18(22)19(24)21-10-7-15(8-11-21)12-16-4-2-5-17(20)13-16/h2,4-5,12-13,18H,3,6-11H2,1H3/t18-/m1/s1
InChIKeyMFMVGNULTSNNDG-GOSISDBHSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 94518651) is 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is MFMVGNULTSNNDG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(23)22-9-3-6-18(22)19(24)21-10-7-15(8-11-21)12-16-4-2-5-17(20)13-16/h2,4-5,12-13,18H,3,6-11H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 330.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94518651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).