1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid

C20H24F2N2O4 — CID 122114260

IUPAC1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2O4/c1-12-2-3-14(20(27)28)11-24(12)18(25)13-6-8-23(9-7-13)19(26)16-5-4-15(21)10-17(16)22/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H,27,28)
InChIKeyPZEKXHVDHXPKCP-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid

1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114260) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122114260
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2O4/c1-12-2-3-14(20(27)28)11-24(12)18(25)13-6-8-23(9-7-13)19(26)16-5-4-15(21)10-17(16)22/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H,27,28)
InChIKeyPZEKXHVDHXPKCP-UHFFFAOYSA-N
XLogP2.53
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115025
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113714
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122114260) is 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is PZEKXHVDHXPKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-12-2-3-14(20(27)28)11-24(12)18(25)13-6-8-23(9-7-13)19(26)16-5-4-15(21)10-17(16)22/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H,27,28).
What are the key properties of 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 394.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).