N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide

C14H18BrN3O — CID 174001529

IUPACN-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide
SMILESCC(=NC1(NC=O)CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(12-2-4-13(15)5-3-12)18-14(17-10-19)6-8-16-9-7-14/h2-5,10,16H,6-9H2,1H3,(H,17,19)
InChIKeyUJYMFDBBJMLIDC-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.08
Rot. Bonds4

About N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide

N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide (PubChem CID 174001529) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide
PubChem CID174001529
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide
SMILESCC(=NC1(NC=O)CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(12-2-4-13(15)5-3-12)18-14(17-10-19)6-8-16-9-7-14/h2-5,10,16H,6-9H2,1H3,(H,17,19)
InChIKeyUJYMFDBBJMLIDC-UHFFFAOYSA-N
XLogP2.08
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 3096093
[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
CID 54612261
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
(1E,3E)-1,3-bis[(4-bromophenyl)methylidene]-7-azaspiro[3.5]nonan-2-one
CID 161376953
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
(1S,6R,7S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98084880
(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
CID 174942428
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
4-(4-bromophenyl)-4-methylpiperidine;ethyl formate
CID 159546883
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
[4-(4-bromoanilino)piperidin-4-yl]methanol
CID 61243008

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide?
The IUPAC name of N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide (CID 174001529) is N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide.
What is the SMILES notation for N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide?
The canonical SMILES for N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide is CC(=NC1(NC=O)CCNCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide?
The InChIKey is UJYMFDBBJMLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(12-2-4-13(15)5-3-12)18-14(17-10-19)6-8-16-9-7-14/h2-5,10,16H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide?
N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide has a molecular weight of 324.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-bromophenyl)ethylideneamino]piperidin-4-yl]formamide is sourced from PubChem (CID 174001529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).