(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide

C14H25N3O2 — CID 97455138

IUPAC(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H25N3O2/c1-4-5-12(2)14(19)15-6-7-16-8-10-17(11-9-16)13(3)18/h5H,4,6-11H2,1-3H3,(H,15,19)/b12-5+
InChIKeyXMJXNRSASYJAJS-LFYBBSHMSA-N
MW267.37 g/mol
LogP0.62
Rot. Bonds5

About (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide

(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide (PubChem CID 97455138) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
PubChem CID97455138
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H25N3O2/c1-4-5-12(2)14(19)15-6-7-16-8-10-17(11-9-16)13(3)18/h5H,4,6-11H2,1-3H3,(H,15,19)/b12-5+
InChIKeyXMJXNRSASYJAJS-LFYBBSHMSA-N
XLogP0.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.62
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

1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
CID 78983790
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111867850
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111890795
methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 3693552
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
N-(2-azidoethyl)-2-methylpent-2-enamide
CID 61342491

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide?
The IUPAC name of (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide (CID 97455138) is (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NCCN1CCN(C(C)=O)CC1.
What is the InChIKey of (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide?
The InChIKey is XMJXNRSASYJAJS-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-12(2)14(19)15-6-7-16-8-10-17(11-9-16)13(3)18/h5H,4,6-11H2,1-3H3,(H,15,19)/b12-5+.
What are the key properties of (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide?
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide is sourced from PubChem (CID 97455138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).