(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide

C12H21N3O — CID 118034018

IUPAC(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N3O/c1-13-12(16)3-2-6-14-7-9-15(10-8-14)11-4-5-11/h2-3,11H,4-10H2,1H3,(H,13,16)/b3-2+
InChIKeyZMJOLIMVZAAMDI-NSCUHMNNSA-N
MW223.32 g/mol
LogP0.07
Rot. Bonds4

About (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide

(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide (PubChem CID 118034018) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide
PubChem CID118034018
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N3O/c1-13-12(16)3-2-6-14-7-9-15(10-8-14)11-4-5-11/h2-3,11H,4-10H2,1H3,(H,13,16)/b3-2+
InChIKeyZMJOLIMVZAAMDI-NSCUHMNNSA-N
XLogP0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.07
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

Nigragillin
CID 71454343
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
(E)-4-fluoro-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 153584807
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
1-Piperazin-1-ylbut-2-en-1-one
CID 280948
1-(Piperazin-1-yl)but-2-en-1-one
CID 5875664
1,2-Dimethylpiperazine;prop-2-enamide
CID 22444655
1-(3,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 23034639
N-(2-aminocyclopropyl)but-2-enamide
CID 53971002
N-[2-(dipropylamino)ethyl]but-2-enamide
CID 54007608
CID 58998107
CID 58998107

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide (CID 118034018) is (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCN(C2CC2)CC1.
What is the InChIKey of (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide?
The InChIKey is ZMJOLIMVZAAMDI-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-12(16)3-2-6-14-7-9-15(10-8-14)11-4-5-11/h2-3,11H,4-10H2,1H3,(H,13,16)/b3-2+.
What are the key properties of (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide has a molecular weight of 223.32 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 118034018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).