bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate

C27H42N2O6 — CID 141308414

IUPACbis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
SMILESC=CC(=O)N1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C27H42N2O6/c1-11-20(30)28-24(3,4)14-18(15-25(28,5)6)34-22(32)13-23(33)35-19-16-26(7,8)29(21(31)12-2)27(9,10)17-19/h11-12,18-19H,1-2,13-17H2,3-10H3
InChIKeyVTUDPFLKLQZZCH-UHFFFAOYSA-N
MW490.64 g/mol
LogP3.93
Rot. Bonds6

About bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate

bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate (PubChem CID 141308414) has the molecular formula C27H42N2O6 and a molecular weight of 490.64 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
PubChem CID141308414
Molecular FormulaC27H42N2O6
Molecular Weight490.64 g/mol
Exact Mass490.30
IUPAC Namebis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
SMILESC=CC(=O)N1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C27H42N2O6/c1-11-20(30)28-24(3,4)14-18(15-25(28,5)6)34-22(32)13-23(33)35-19-16-26(7,8)29(21(31)12-2)27(9,10)17-19/h11-12,18-19H,1-2,13-17H2,3-10H3
InChIKeyVTUDPFLKLQZZCH-UHFFFAOYSA-N
XLogP3.93
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
CID 90760792
methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate
CID 157470228
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
CID 154095957
methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
CID 54179873

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate (CID 141308414) is bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate is C=CC(=O)N1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate?
The InChIKey is VTUDPFLKLQZZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O6/c1-11-20(30)28-24(3,4)14-18(15-25(28,5)6)34-22(32)13-23(33)35-19-16-26(7,8)29(21(31)12-2)27(9,10)17-19/h11-12,18-19H,1-2,13-17H2,3-10H3.
What are the key properties of bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate?
bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate has a molecular weight of 490.64 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate is sourced from PubChem (CID 141308414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).