[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

C17H21F2N3O2 — CID 56898451

IUPAC[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2C(=O)N2CCCC2)c1F
InChIInChI=1S/C17H21F2N3O2/c1-11-4-5-12(18)14(15(11)19)17(24)22-9-6-20-10-13(22)16(23)21-7-2-3-8-21/h4-5,13,20H,2-3,6-10H2,1H3
InChIKeyFHIUPQCXVFMHAF-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.31
Rot. Bonds2

About [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56898451) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56898451
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2C(=O)N2CCCC2)c1F
InChIInChI=1S/C17H21F2N3O2/c1-11-4-5-12(18)14(15(11)19)17(24)22-9-6-20-10-13(22)16(23)21-7-2-3-8-21/h4-5,13,20H,2-3,6-10H2,1H3
InChIKeyFHIUPQCXVFMHAF-UHFFFAOYSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(2S)-1-(2,6-difluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 82815286
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95722562
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
(2,6-difluoro-3-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 82815937
[2-(aminomethyl)azepan-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116640075
N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
CID 95723230
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95728739
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56898451) is [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(F)c(C(=O)N2CCNCC2C(=O)N2CCCC2)c1F.
What is the InChIKey of [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FHIUPQCXVFMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-11-4-5-12(18)14(15(11)19)17(24)22-9-6-20-10-13(22)16(23)21-7-2-3-8-21/h4-5,13,20H,2-3,6-10H2,1H3.
What are the key properties of [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 337.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56898451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).