3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione

C16H21N3O2 — CID 171397543

IUPAC3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@H]1CNCCN1c1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21N3O2/c1-11-10-17-8-9-19(11)13-4-2-12(3-5-13)14-6-7-15(20)18-16(14)21/h2-5,11,14,17H,6-10H2,1H3,(H,18,20,21)/t11-,14?/m0/s1
InChIKeyBFBJDHLIDNIYQG-ZSOXZCCMSA-N
MW287.36 g/mol
LogP1.00
Rot. Bonds2

About 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171397543) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171397543
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@H]1CNCCN1c1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21N3O2/c1-11-10-17-8-9-19(11)13-4-2-12(3-5-13)14-6-7-15(20)18-16(14)21/h2-5,11,14,17H,6-10H2,1H3,(H,18,20,21)/t11-,14?/m0/s1
InChIKeyBFBJDHLIDNIYQG-ZSOXZCCMSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406445
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
CID 64931724
4-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 94546154
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione (CID 171397543) is 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione is C[C@H]1CNCCN1c1ccc(C2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is BFBJDHLIDNIYQG-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-10-17-8-9-19(11)13-4-2-12(3-5-13)14-6-7-15(20)18-16(14)21/h2-5,11,14,17H,6-10H2,1H3,(H,18,20,21)/t11-,14?/m0/s1.
What are the key properties of 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171397543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).