4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide

C19H33N5OS — CID 110962529

IUPAC4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H33N5OS/c1-5-20-19(24-11-9-23(10-12-24)16(4)25)21-14-18(22(6-2)7-3)17-8-13-26-15-17/h8,13,15,18H,5-7,9-12,14H2,1-4H3,(H,20,21)
InChIKeyNDZPTTMCORUVLT-UHFFFAOYSA-N
MW379.57 g/mol
LogP2.26
Rot. Bonds7

About 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110962529) has the molecular formula C19H33N5OS and a molecular weight of 379.57 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110962529
Molecular FormulaC19H33N5OS
Molecular Weight379.57 g/mol
Exact Mass379.24
IUPAC Name4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H33N5OS/c1-5-20-19(24-11-9-23(10-12-24)16(4)25)21-14-18(22(6-2)7-3)17-8-13-26-15-17/h8,13,15,18H,5-7,9-12,14H2,1-4H3,(H,20,21)
InChIKeyNDZPTTMCORUVLT-UHFFFAOYSA-N
XLogP2.26
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N'-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963414
4-acetyl-N'-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963417
N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111770709
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474791
methyl 1-[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111252103
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189178
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971688
ethyl 1-[N-[2-(diethylamino)-2-thiophen-3-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157021
4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 38391003
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
CID 111054972

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide (CID 110962529) is 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CC(c1ccsc1)N(CC)CC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is NDZPTTMCORUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS/c1-5-20-19(24-11-9-23(10-12-24)16(4)25)21-14-18(22(6-2)7-3)17-8-13-26-15-17/h8,13,15,18H,5-7,9-12,14H2,1-4H3,(H,20,21).
What are the key properties of 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 379.57 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).