(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate

C24H29ClN2O3 — CID 22766477

IUPAC(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(NC(=O)c2ccccc2)(C(=O)OCc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C24H29ClN2O3/c1-22(2)15-24(16-23(3,4)27-22,26-20(28)18-8-6-5-7-9-18)21(29)30-14-17-10-12-19(25)13-11-17/h5-13,27H,14-16H2,1-4H3,(H,26,28)
InChIKeyPIDIIGLPFPCPFR-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.49
Rot. Bonds5

About (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate

(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 22766477) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID22766477
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(NC(=O)c2ccccc2)(C(=O)OCc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C24H29ClN2O3/c1-22(2)15-24(16-23(3,4)27-22,26-20(28)18-8-6-5-7-9-18)21(29)30-14-17-10-12-19(25)13-11-17/h5-13,27H,14-16H2,1-4H3,(H,26,28)
InChIKeyPIDIIGLPFPCPFR-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 22766477) is (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(NC(=O)c2ccccc2)(C(=O)OCc2ccc(Cl)cc2)CC(C)(C)N1.
What is the InChIKey of (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is PIDIIGLPFPCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-22(2)15-24(16-23(3,4)27-22,26-20(28)18-8-6-5-7-9-18)21(29)30-14-17-10-12-19(25)13-11-17/h5-13,27H,14-16H2,1-4H3,(H,26,28).
What are the key properties of (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 428.96 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 22766477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).