[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate

C16H22ClN3O2 — CID 12523217

IUPAC[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate
SMILESCC1(C)CC(=NOC(=O)Nc2cccc(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C16H22ClN3O2/c1-15(2)9-13(10-16(3,4)20-15)19-22-14(21)18-12-7-5-6-11(17)8-12/h5-8,20H,9-10H2,1-4H3,(H,18,21)
InChIKeyFRJQYVOLPUEHQX-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.19
Rot. Bonds2

About [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate

[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate (PubChem CID 12523217) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate
PubChem CID12523217
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate
SMILESCC1(C)CC(=NOC(=O)Nc2cccc(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C16H22ClN3O2/c1-15(2)9-13(10-16(3,4)20-15)19-22-14(21)18-12-7-5-6-11(17)8-12/h5-8,20H,9-10H2,1-4H3,(H,18,21)
InChIKeyFRJQYVOLPUEHQX-UHFFFAOYSA-N
XLogP4.19
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
CID 6949721
[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate
CID 24753086
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-(3-chlorophenyl)carbamate
CID 67752995
N-(3-chlorophenyl)-1-methylphosphanylformamide
CID 138970843

Frequently Asked Questions

What is the IUPAC name of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate (CID 12523217) is [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate is CC1(C)CC(=NOC(=O)Nc2cccc(Cl)c2)CC(C)(C)N1.
What is the InChIKey of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate?
The InChIKey is FRJQYVOLPUEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-15(2)9-13(10-16(3,4)20-15)19-22-14(21)18-12-7-5-6-11(17)8-12/h5-8,20H,9-10H2,1-4H3,(H,18,21).
What are the key properties of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate?
[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate has a molecular weight of 323.82 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 12523217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).