N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide

C17H28IN5O — CID 110961774

IUPACN-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C17H27N5O.HI/c1-3-18-16(23)14-20-17(19-4-2)22-12-10-21(11-13-22)15-8-6-5-7-9-15;/h5-9H,3-4,10-14H2,1-2H3,(H,18,23)(H,19,20);1H
InChIKeyALPZQNRCQRMPRW-UHFFFAOYSA-N
MW445.35 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide

N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide (PubChem CID 110961774) has the molecular formula C17H28IN5O and a molecular weight of 445.35 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
PubChem CID110961774
Molecular FormulaC17H28IN5O
Molecular Weight445.35 g/mol
Exact Mass445.13
IUPAC NameN-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C17H27N5O.HI/c1-3-18-16(23)14-20-17(19-4-2)22-12-10-21(11-13-22)15-8-6-5-7-9-15;/h5-9H,3-4,10-14H2,1-2H3,(H,18,23)(H,19,20);1H
InChIKeyALPZQNRCQRMPRW-UHFFFAOYSA-N
XLogP1.53
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110961223
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404
N-ethyl-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206908
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040
N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenylpiperazine-1-carboximidamide
CID 110961443
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960898
N-cyclopropyl-4-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110961628
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
N-ethyl-2-[3-[[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 110962112
1,3-diethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110917320
2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]-N-phenylacetamide
CID 111184702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide (CID 110961774) is N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide is CCNC(=O)C/N=C(\NCC)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide?
The InChIKey is ALPZQNRCQRMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.HI/c1-3-18-16(23)14-20-17(19-4-2)22-12-10-21(11-13-22)15-8-6-5-7-9-15;/h5-9H,3-4,10-14H2,1-2H3,(H,18,23)(H,19,20);1H.
What are the key properties of N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide?
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide has a molecular weight of 445.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110961774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).