(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate

C20H25NO4-2 — CID 22507419

IUPAC(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
SMILESCC1(C)CC(/C(=C/C(=O)[O-])C(=O)[O-])CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C20H27NO4/c1-19(2)11-15(16(18(24)25)10-17(22)23)12-20(3,4)21(19)13-14-8-6-5-7-9-14/h5-10,15H,11-13H2,1-4H3,(H,22,23)(H,24,25)/p-2/b16-10-
InChIKeyGCSMUZTVTUMTPM-YBEGLDIGSA-L
MW343.42 g/mol
LogP0.88
Rot. Bonds5

About (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate

(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate (PubChem CID 22507419) has the molecular formula C20H25NO4-2 and a molecular weight of 343.42 g/mol. Its IUPAC name is (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate.

Molecular Properties

Compound Name(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
PubChem CID22507419
Molecular FormulaC20H25NO4-2
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
SMILESCC1(C)CC(/C(=C/C(=O)[O-])C(=O)[O-])CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C20H27NO4/c1-19(2)11-15(16(18(24)25)10-17(22)23)12-20(3,4)21(19)13-14-8-6-5-7-9-14/h5-10,15H,11-13H2,1-4H3,(H,22,23)(H,24,25)/p-2/b16-10-
InChIKeyGCSMUZTVTUMTPM-YBEGLDIGSA-L
XLogP0.88
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 87175148
(Z)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 22496642
1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
CID 170430014
1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
CID 67933670
1-benzyl-N-ethyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 20501093
bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 54571692
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 135259547
(2S,4S)-1-benzyl-2,4-diethylazetidine-2,4-dicarboxylate
CID 135393408
(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone
CID 166313307
1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
CID 20501054
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate?
The IUPAC name of (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate (CID 22507419) is (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate.
What is the SMILES notation for (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate?
The canonical SMILES for (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate is CC1(C)CC(/C(=C/C(=O)[O-])C(=O)[O-])CC(C)(C)N1Cc1ccccc1.
What is the InChIKey of (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate?
The InChIKey is GCSMUZTVTUMTPM-YBEGLDIGSA-L. The full InChI is InChI=1S/C20H27NO4/c1-19(2)11-15(16(18(24)25)10-17(22)23)12-20(3,4)21(19)13-14-8-6-5-7-9-14/h5-10,15H,11-13H2,1-4H3,(H,22,23)(H,24,25)/p-2/b16-10-.
What are the key properties of (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate?
(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate has a molecular weight of 343.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate is sourced from PubChem (CID 22507419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).