N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide

C15H20BrN3O — CID 5346912

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c16-14-6-4-13(5-7-14)12-17-18-15(20)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2,(H,18,20)/b17-12+
InChIKeyGQUOJRXBJJSJJI-SFQUDFHCSA-N
MW338.25 g/mol
LogP2.78
Rot. Bonds5

About N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide

N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide (PubChem CID 5346912) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
PubChem CID5346912
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c16-14-6-4-13(5-7-14)12-17-18-15(20)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2,(H,18,20)/b17-12+
InChIKeyGQUOJRXBJJSJJI-SFQUDFHCSA-N
XLogP2.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
CID 6900602
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
CID 3096595
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide (CID 5346912) is N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
The InChIKey is GQUOJRXBJJSJJI-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-14-6-4-13(5-7-14)12-17-18-15(20)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2,(H,18,20)/b17-12+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide?
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide has a molecular weight of 338.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 5346912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).