4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide

C14H20N4O — CID 171337663

IUPAC4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CC/N=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c15-14(19)18-10-8-17(9-11-18)7-6-16-12-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,19)/b16-12+
InChIKeyNMYLNOKVXNRPIC-FOWTUZBSSA-N
MW260.34 g/mol
LogP0.80
Rot. Bonds4

About 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide

4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide (PubChem CID 171337663) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide
PubChem CID171337663
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CC/N=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c15-14(19)18-10-8-17(9-11-18)7-6-16-12-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,19)/b16-12+
InChIKeyNMYLNOKVXNRPIC-FOWTUZBSSA-N
XLogP0.80
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 2822210
2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 135427879
bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)
CID 3937622
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
gallium bis([2-[2-(aziridin-1-yl)ethyliminomethyl]phenyl]oxidanium)
CID 50911731
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
CID 110711063
4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine
CID 70606935
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510
4-propylpiperazine-1-carboxamide
CID 16792615
1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
CID 134097917
(4E,6E)-1-(4-acetylpiperazin-1-yl)-7-phenylhepta-4,6-dien-3-one
CID 59803285

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide (CID 171337663) is 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide is NC(=O)N1CCN(CC/N=C/c2ccccc2)CC1.
What is the InChIKey of 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide?
The InChIKey is NMYLNOKVXNRPIC-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H20N4O/c15-14(19)18-10-8-17(9-11-18)7-6-16-12-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,19)/b16-12+.
What are the key properties of 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide?
4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 171337663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).