2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone

C15H26N4O — CID 145198394

IUPAC2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone
SMILESC=C(/C=N/C(=C)C)CN1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-13(2)16-10-14(3)11-18-6-8-19(9-7-18)15(20)12-17(4)5/h10H,1,3,6-9,11-12H2,2,4-5H3/b16-10+
InChIKeyGRXIMFNVRPURIT-MHWRWJLKSA-N
MW278.40 g/mol
LogP0.85
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 145198394) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone
PubChem CID145198394
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone
SMILESC=C(/C=N/C(=C)C)CN1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-13(2)16-10-14(3)11-18-6-8-19(9-7-18)15(20)12-17(4)5/h10H,1,3,6-9,11-12H2,2,4-5H3/b16-10+
InChIKeyGRXIMFNVRPURIT-MHWRWJLKSA-N
XLogP0.85
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(E)-1-ethyliminobut-2-en-2-yl]-4-(2-methylpropyl)piperazin-2-one
CID 134406342
4-(2,2-Dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one
CID 134406503
Ethane;4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-2-one
CID 145197758
ethane;4-methyl-1-(3-methyl-2H-azepin-6-yl)piperazin-2-one
CID 145197846
2-(Dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone;ethane
CID 145198393
4-[2-(Prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-2-one
CID 145197759
4-methyl-1-(3-methyl-2H-azepin-6-yl)piperazin-2-one
CID 145197847

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone (CID 145198394) is 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone is C=C(/C=N/C(=C)C)CN1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is GRXIMFNVRPURIT-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(2)16-10-14(3)11-18-6-8-19(9-7-18)15(20)12-17(4)5/h10H,1,3,6-9,11-12H2,2,4-5H3/b16-10+.
What are the key properties of 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 145198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).