3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione

C15H24FN5O3 — CID 177309149

IUPAC3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione
SMILESCN1CC(=O)N(C2NCC(=O)NC2=O)C(C(F)C2CCNCC2)C1
InChIInChI=1S/C15H24FN5O3/c1-20-7-10(13(16)9-2-4-17-5-3-9)21(12(23)8-20)14-15(24)19-11(22)6-18-14/h9-10,13-14,17-18H,2-8H2,1H3,(H,19,22,24)
InChIKeyWVXFNOOLGOTLEM-UHFFFAOYSA-N
MW341.39 g/mol
LogP-1.96
Rot. Bonds3

About 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione

3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione (PubChem CID 177309149) has the molecular formula C15H24FN5O3 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione
PubChem CID177309149
Molecular FormulaC15H24FN5O3
Molecular Weight341.39 g/mol
Exact Mass341.19
IUPAC Name3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione
SMILESCN1CC(=O)N(C2NCC(=O)NC2=O)C(C(F)C2CCNCC2)C1
InChIInChI=1S/C15H24FN5O3/c1-20-7-10(13(16)9-2-4-17-5-3-9)21(12(23)8-20)14-15(24)19-11(22)6-18-14/h9-10,13-14,17-18H,2-8H2,1H3,(H,19,22,24)
InChIKeyWVXFNOOLGOTLEM-UHFFFAOYSA-N
XLogP-1.96
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16286794
N-(ethylcarbamoyl)-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 53627168
4-[[1-(5-Amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 134321761
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75894562
1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 20144302
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)-2-piperidin-1-ylpiperidin-1-yl]propan-1-one
CID 91091344
N-methyl-4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carboxamide
CID 139421558
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655085
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2682143
N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2682144
N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2682146

Frequently Asked Questions

What is the IUPAC name of 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione?
The IUPAC name of 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione (CID 177309149) is 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione.
What is the SMILES notation for 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione?
The canonical SMILES for 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione is CN1CC(=O)N(C2NCC(=O)NC2=O)C(C(F)C2CCNCC2)C1.
What is the InChIKey of 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione?
The InChIKey is WVXFNOOLGOTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O3/c1-20-7-10(13(16)9-2-4-17-5-3-9)21(12(23)8-20)14-15(24)19-11(22)6-18-14/h9-10,13-14,17-18H,2-8H2,1H3,(H,19,22,24).
What are the key properties of 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione?
3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione has a molecular weight of 341.39 g/mol, XLogP of -1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[fluoro(piperidin-4-yl)methyl]-4-methyl-6-oxopiperazin-1-yl]piperazine-2,6-dione is sourced from PubChem (CID 177309149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).