(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide

C12H23N3O — CID 118034451

IUPAC(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C12H23N3O/c1-11(2)13-12(16)5-4-6-15-9-7-14(3)8-10-15/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+
InChIKeyRIVLSODOVOGXNS-SNAWJCMRSA-N
MW225.34 g/mol
LogP0.31
Rot. Bonds4

About (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide

(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide (PubChem CID 118034451) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
PubChem CID118034451
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C12H23N3O/c1-11(2)13-12(16)5-4-6-15-9-7-14(3)8-10-15/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+
InChIKeyRIVLSODOVOGXNS-SNAWJCMRSA-N
XLogP0.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

rel-(+)-(2E,4E)-1-((2R,5S)-2,4,5-Trimethyl-1-piperazinyl)-2,4-hexadien-1-one
CID 15939563
Nigragillin
CID 71454343
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
(E)-N,N'-diisopropylbut-2-enediamide
CID 24973364
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
(2-Acrylamidopropyl)trimethylammonium chloride
CID 11820325
2-Dimethylaminopropyl acrylamide
CID 21707846
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
N,N'-di(propan-2-yl)but-2-enediamide
CID 74377286
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide (CID 118034451) is (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide is CC(C)NC(=O)/C=C/CN1CCN(C)CC1.
What is the InChIKey of (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide?
The InChIKey is RIVLSODOVOGXNS-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)13-12(16)5-4-6-15-9-7-14(3)8-10-15/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+.
What are the key properties of (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide?
(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 118034451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).