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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Related Compounds

1-[(2R)-2-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone;3-fluorophenol
CID 143899415
1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
CID 56816043
3-fluorophenol;1-[(2R)-2-[4-(oxan-4-yl)-1,4-diazepane-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 143899445
[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590775
methyl 1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410235
(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95580339
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
1-[(2S)-2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94670838
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897286
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368
tert-butyl (2S)-2-[2-(3-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 90685358

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).