N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide

C15H21N3O2S — CID 32543641

IUPACN,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-16(2)15(20)11-17-6-8-18(9-7-17)14(19)4-3-13-5-10-21-12-13/h3-5,10,12H,6-9,11H2,1-2H3/b4-3+
InChIKeyAQVRBWYPNNZDNJ-ONEGZZNKSA-N
MW307.42 g/mol
LogP0.99
Rot. Bonds4

About N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 32543641) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID32543641
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-16(2)15(20)11-17-6-8-18(9-7-17)14(19)4-3-13-5-10-21-12-13/h3-5,10,12H,6-9,11H2,1-2H3/b4-3+
InChIKeyAQVRBWYPNNZDNJ-ONEGZZNKSA-N
XLogP0.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 166628731
(2E,4E)-1-piperidin-1-yl-5-thiophen-3-ylpenta-2,4-dien-1-one
CID 147938711
(2E)-1-(4-ethylpiperazinyl)-3-(2-thienyl)prop-2-en-1-one
CID 2168109
3,3,3-trifluoro-1-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 53552169
3,3,3-Trifluoro-1-[4-(3-thiophen-3-ylprop-2-enoyl)piperazin-1-yl]propan-1-one
CID 72150882
3,3,3-trifluoro-1-[4-[(Z)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 97462394
(E)-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 2329792
1-(4-Methylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 4137019
(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 39958624
(E)-N-(2-cyanopropyl)-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51096900
(2E)-1-(4-Morpholinyl)-3-(3-thienyl)-2-propen-1-one
CID 23437820
1-Piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
CID 53912339

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide (CID 32543641) is N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccsc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is AQVRBWYPNNZDNJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-16(2)15(20)11-17-6-8-18(9-7-17)14(19)4-3-13-5-10-21-12-13/h3-5,10,12H,6-9,11H2,1-2H3/b4-3+.
What are the key properties of N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 32543641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).