[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate

C13H17N3O2 — CID 2823179

IUPAC[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
SMILESCN1CCC(=NOC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c1-16-9-7-12(8-10-16)15-18-13(17)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,17)
InChIKeyWCNNDRFVXRKIES-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.32
Rot. Bonds2

About [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate

[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate (PubChem CID 2823179) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
PubChem CID2823179
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
SMILESCN1CCC(=NOC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c1-16-9-7-12(8-10-16)15-18-13(17)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,17)
InChIKeyWCNNDRFVXRKIES-UHFFFAOYSA-N
XLogP2.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate?
The IUPAC name of [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate (CID 2823179) is [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate.
What is the SMILES notation for [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate?
The canonical SMILES for [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate is CN1CCC(=NOC(=O)Nc2ccccc2)CC1.
What is the InChIKey of [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate?
The InChIKey is WCNNDRFVXRKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-9-7-12(8-10-16)15-18-13(17)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,17).
What are the key properties of [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate?
[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate has a molecular weight of 247.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate is sourced from PubChem (CID 2823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).