[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate

C17H20N4O2 — CID 87389245

IUPAC[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C(=N/N1CCCCC1)n1ccnc1
InChIInChI=1S/C17H20N4O2/c1-14(22)23-16-8-4-3-7-15(16)17(20-12-9-18-13-20)19-21-10-5-2-6-11-21/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3/b19-17-
InChIKeyDJCBVZGTDKWGHL-ZPHPHTNESA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds3

About [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate

[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate (PubChem CID 87389245) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate
PubChem CID87389245
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C(=N/N1CCCCC1)n1ccnc1
InChIInChI=1S/C17H20N4O2/c1-14(22)23-16-8-4-3-7-15(16)17(20-12-9-18-13-20)19-21-10-5-2-6-11-21/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3/b19-17-
InChIKeyDJCBVZGTDKWGHL-ZPHPHTNESA-N
XLogP2.50
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
2-[N-(azepan-1-yl)-C-imidazol-1-ylcarbonimidoyl]-N,N-dimethylaniline
CID 67414276
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenyl] 3-phenylprop-2-enoate
CID 141228676
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
CID 67784645
CID 67784645
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
CID 171829484

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate?
The IUPAC name of [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate (CID 87389245) is [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate.
What is the SMILES notation for [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate?
The canonical SMILES for [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate is CC(=O)Oc1ccccc1/C(=N/N1CCCCC1)n1ccnc1.
What is the InChIKey of [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate?
The InChIKey is DJCBVZGTDKWGHL-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H20N4O2/c1-14(22)23-16-8-4-3-7-15(16)17(20-12-9-18-13-20)19-21-10-5-2-6-11-21/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3/b19-17-.
What are the key properties of [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate?
[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate has a molecular weight of 312.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate is sourced from PubChem (CID 87389245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).