ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate

C15H21N3O2 — CID 6910070

IUPACethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-20-15(19)17-16-12-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3,(H,17,19)/b16-12+
InChIKeyJSGKJBYYEFPVJI-FOWTUZBSSA-N
MW275.35 g/mol
LogP2.76
Rot. Bonds4

About ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate

ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate (PubChem CID 6910070) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
PubChem CID6910070
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-20-15(19)17-16-12-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3,(H,17,19)/b16-12+
InChIKeyJSGKJBYYEFPVJI-FOWTUZBSSA-N
XLogP2.76
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6861608
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
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ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
methyl 8-oxo-8-[(2E)-2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]octanoate
CID 23976256
tert-butyl 2-[4-[4-[4-[(ethoxycarbonylhydrazinylidene)methyl]phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 70059915
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
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ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
ethyl N-[[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]methylideneamino]carbamate
CID 4186920
2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 43075100
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate (CID 6910070) is ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(N2CCCCC2)cc1.
What is the InChIKey of ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate?
The InChIKey is JSGKJBYYEFPVJI-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-20-15(19)17-16-12-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3,(H,17,19)/b16-12+.
What are the key properties of ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).