1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine

C20H32N4O2 — CID 111005811

IUPAC1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCC(=O)N1CCCCC1C)NCCOc1ccccc1
InChIInChI=1S/C20H32N4O2/c1-3-21-20(23-14-16-26-18-10-5-4-6-11-18)22-13-12-19(25)24-15-8-7-9-17(24)2/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H2,21,22,23)
InChIKeyVSNBTAHMDXXJKV-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.41
Rot. Bonds8

About 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine

1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine (PubChem CID 111005811) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine
PubChem CID111005811
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCC(=O)N1CCCCC1C)NCCOc1ccccc1
InChIInChI=1S/C20H32N4O2/c1-3-21-20(23-14-16-26-18-10-5-4-6-11-18)22-13-12-19(25)24-15-8-7-9-17(24)2/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H2,21,22,23)
InChIKeyVSNBTAHMDXXJKV-UHFFFAOYSA-N
XLogP2.41
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
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

2-benzyl-1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110953802
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136921930
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
CID 95287547
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111183112
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126138
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111410810
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111216024
1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111588614
N-ethyl-N'-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide
CID 110961535
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111391247
propan-2-yl 3-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]propanoate
CID 111005723
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005524

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine (CID 111005811) is 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine is CCN/C(=N\CCC(=O)N1CCCCC1C)NCCOc1ccccc1.
What is the InChIKey of 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine?
The InChIKey is VSNBTAHMDXXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-21-20(23-14-16-26-18-10-5-4-6-11-18)22-13-12-19(25)24-15-8-7-9-17(24)2/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine?
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine has a molecular weight of 360.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111005811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).