2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate

C42H60N4O8-2 — CID 19892333

IUPAC2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate
SMILESCC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OC(=O)Nc3ccccc3)C(C)(C)C2)CC(C)(C)N1OC(=O)Nc1ccccc1
InChIInChI=1S/C42H62N4O8/c1-38(2)26-30(27-39(3,4)45(38)53-36(51)43-32-20-14-12-15-21-32)42(35(49)50,25-19-11-9-10-18-24-34(47)48)31-28-40(5,6)46(41(7,8)29-31)54-37(52)44-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,51)(H,44,52)(H,47,48)(H,49,50)/p-2
InChIKeyUJXKOGLHINCJBE-UHFFFAOYSA-L
MW748.96 g/mol
LogP7.07
Rot. Bonds15

About 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate

2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate (PubChem CID 19892333) has the molecular formula C42H60N4O8-2 and a molecular weight of 748.96 g/mol. Its IUPAC name is 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate.

Molecular Properties

Compound Name2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate
PubChem CID19892333
Molecular FormulaC42H60N4O8-2
Molecular Weight748.96 g/mol
Exact Mass748.44
IUPAC Name2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate
SMILESCC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OC(=O)Nc3ccccc3)C(C)(C)C2)CC(C)(C)N1OC(=O)Nc1ccccc1
InChIInChI=1S/C42H62N4O8/c1-38(2)26-30(27-39(3,4)45(38)53-36(51)43-32-20-14-12-15-21-32)42(35(49)50,25-19-11-9-10-18-24-34(47)48)31-28-40(5,6)46(41(7,8)29-31)54-37(52)44-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,51)(H,44,52)(H,47,48)(H,49,50)/p-2
InChIKeyUJXKOGLHINCJBE-UHFFFAOYSA-L
XLogP7.07
TPSA163.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.96
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate
CID 22598269
2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
CID 18533682
2,2-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2,2-dihydroxypropyl]decanedioate
CID 20510558
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
7,7-dimethyl-N-phenyloctanamide
CID 68837139
(2,2,6,6-tetramethylpiperidin-1-yl) 6-hydroxy-8-phenyl-6-(2-phenylethynyl)oct-7-ynoate
CID 11397293
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide
CID 21409714
tetrakis[2,2,6,6-tetramethyl-1-(phenylcarbamoyl)piperidin-4-yl] silicate
CID 88736179
9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide
CID 122391197
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
heptanoate;triphenylsulfanium
CID 87067214

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate?
The IUPAC name of 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate (CID 19892333) is 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate.
What is the SMILES notation for 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate?
The canonical SMILES for 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate is CC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OC(=O)Nc3ccccc3)C(C)(C)C2)CC(C)(C)N1OC(=O)Nc1ccccc1.
What is the InChIKey of 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate?
The InChIKey is UJXKOGLHINCJBE-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H62N4O8/c1-38(2)26-30(27-39(3,4)45(38)53-36(51)43-32-20-14-12-15-21-32)42(35(49)50,25-19-11-9-10-18-24-34(47)48)31-28-40(5,6)46(41(7,8)29-31)54-37(52)44-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,51)(H,44,52)(H,47,48)(H,49,50)/p-2.
What are the key properties of 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate?
2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate has a molecular weight of 748.96 g/mol, XLogP of 7.07, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate is sourced from PubChem (CID 19892333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).