[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate

C20H19N3O3 — CID 10360432

IUPAC[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate
SMILESN#C/C(=N\OC(=O)N1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c21-15-19(22-26-20(24)23-12-5-2-6-13-23)16-8-7-11-18(14-16)25-17-9-3-1-4-10-17/h1,3-4,7-11,14H,2,5-6,12-13H2/b22-19+
InChIKeyGMFVKPSNXHILQO-ZBJSNUHESA-N
MW349.39 g/mol
LogP4.33
Rot. Bonds4

About [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate

[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate (PubChem CID 10360432) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate
PubChem CID10360432
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate
SMILESN#C/C(=N\OC(=O)N1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c21-15-19(22-26-20(24)23-12-5-2-6-13-23)16-8-7-11-18(14-16)25-17-9-3-1-4-10-17/h1,3-4,7-11,14H,2,5-6,12-13H2/b22-19+
InChIKeyGMFVKPSNXHILQO-ZBJSNUHESA-N
XLogP4.33
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598749
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599
[3-(4-fluorophenoxy)phenyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334469
[1-(3-thiophen-2-ylphenyl)ethylideneamino] piperidine-1-carboxylate
CID 75033246
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327

Frequently Asked Questions

What is the IUPAC name of [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate?
The IUPAC name of [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate (CID 10360432) is [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate.
What is the SMILES notation for [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate?
The canonical SMILES for [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate is N#C/C(=N\OC(=O)N1CCCCC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate?
The InChIKey is GMFVKPSNXHILQO-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H19N3O3/c21-15-19(22-26-20(24)23-12-5-2-6-13-23)16-8-7-11-18(14-16)25-17-9-3-1-4-10-17/h1,3-4,7-11,14H,2,5-6,12-13H2/b22-19+.
What are the key properties of [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate?
[(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[cyano-(3-phenoxyphenyl)methylidene]amino] piperidine-1-carboxylate is sourced from PubChem (CID 10360432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).