4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide

C21H34N4O2 — CID 110963723

IUPAC4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCOCCc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C21H34N4O2/c1-3-22-21(25-15-13-24(14-16-25)19(2)26)23-12-7-8-17-27-18-11-20-9-5-4-6-10-20/h4-6,9-10H,3,7-8,11-18H2,1-2H3,(H,22,23)
InChIKeyDCLGOSGTMILEDU-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.16
Rot. Bonds9

About 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide (PubChem CID 110963723) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide
PubChem CID110963723
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCOCCc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C21H34N4O2/c1-3-22-21(25-15-13-24(14-16-25)19(2)26)23-12-7-8-17-27-18-11-20-9-5-4-6-10-20/h4-6,9-10H,3,7-8,11-18H2,1-2H3,(H,22,23)
InChIKeyDCLGOSGTMILEDU-UHFFFAOYSA-N
XLogP2.16
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methyl-N'-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111211666
ethyl 1-[N-ethyl-N'-[4-(2-phenylethoxy)butyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157853
N-ethyl-3,3-dimethyl-N'-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide
CID 111738133
N-ethyl-4-(oxolane-2-carbonyl)-N'-[3-(2-phenylethoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111302340
4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110962871
4-acetyl-N-ethyl-N'-(3-phenylsulfanylpropyl)piperazine-1-carboximidamide
CID 110963047
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
N-ethyl-4-methyl-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 111210298
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111167865
4-acetyl-N-ethyl-N'-[3-(N-methylanilino)propyl]piperazine-1-carboximidamide
CID 110962977
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167864
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide (CID 110963723) is 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide is CCN/C(=N\CCCCOCCc1ccccc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide?
The InChIKey is DCLGOSGTMILEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-22-21(25-15-13-24(14-16-25)19(2)26)23-12-7-8-17-27-18-11-20-9-5-4-6-10-20/h4-6,9-10H,3,7-8,11-18H2,1-2H3,(H,22,23).
What are the key properties of 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide has a molecular weight of 374.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110963723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).