1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one

C20H27FN2O2 — CID 71984328

IUPAC1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC(CC(=O)N1CCC(N2CCCC2=O)CC1)Cc1cccc(F)c1
InChIInChI=1S/C20H27FN2O2/c1-15(12-16-4-2-5-17(21)14-16)13-20(25)22-10-7-18(8-11-22)23-9-3-6-19(23)24/h2,4-5,14-15,18H,3,6-13H2,1H3
InChIKeyMAAHEBKXKYLJNM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.01
Rot. Bonds5

About 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 71984328) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID71984328
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC(CC(=O)N1CCC(N2CCCC2=O)CC1)Cc1cccc(F)c1
InChIInChI=1S/C20H27FN2O2/c1-15(12-16-4-2-5-17(21)14-16)13-20(25)22-10-7-18(8-11-22)23-9-3-6-19(23)24/h2,4-5,14-15,18H,3,6-13H2,1H3
InChIKeyMAAHEBKXKYLJNM-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119376448
4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 126835524
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one (CID 71984328) is 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one is CC(CC(=O)N1CCC(N2CCCC2=O)CC1)Cc1cccc(F)c1.
What is the InChIKey of 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is MAAHEBKXKYLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-15(12-16-4-2-5-17(21)14-16)13-20(25)22-10-7-18(8-11-22)23-9-3-6-19(23)24/h2,4-5,14-15,18H,3,6-13H2,1H3.
What are the key properties of 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 346.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 71984328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).