1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid

C25H34N2O2 — CID 175022419

IUPAC1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid
SMILESCC1(C)CC(N(C(=O)O)C(Cc2ccccc2)Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C25H34N2O2/c1-24(2)17-22(18-25(3,4)26-24)27(23(28)29)21(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,21-22,26H,15-18H2,1-4H3,(H,28,29)
InChIKeyBDPXZJGECWMIFW-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.13
Rot. Bonds6

About 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid

1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid (PubChem CID 175022419) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid
PubChem CID175022419
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid
SMILESCC1(C)CC(N(C(=O)O)C(Cc2ccccc2)Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C25H34N2O2/c1-24(2)17-22(18-25(3,4)26-24)27(23(28)29)21(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,21-22,26H,15-18H2,1-4H3,(H,28,29)
InChIKeyBDPXZJGECWMIFW-UHFFFAOYSA-N
XLogP5.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 87619863
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902695
N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 584270
2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 150487306
1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(2-benzylphenyl)propanedioate
CID 70576669
N-benzyl-N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747308
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156
N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 16677060
N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141443158
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid?
The IUPAC name of 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid (CID 175022419) is 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid?
The canonical SMILES for 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid is CC1(C)CC(N(C(=O)O)C(Cc2ccccc2)Cc2ccccc2)CC(C)(C)N1.
What is the InChIKey of 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid?
The InChIKey is BDPXZJGECWMIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2)17-22(18-25(3,4)26-24)27(23(28)29)21(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,21-22,26H,15-18H2,1-4H3,(H,28,29).
What are the key properties of 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid?
1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid has a molecular weight of 394.56 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 175022419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).