1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine

C20H26N4O — CID 111996031

IUPAC1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc2ccccc2c1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C20H26N4O/c1-3-21-20(23-18-10-11-19(25)24(2)14-18)22-13-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyVNXRGPYUZBSHQB-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.52
Rot. Bonds4

About 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine

1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine (PubChem CID 111996031) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine
PubChem CID111996031
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc2ccccc2c1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C20H26N4O/c1-3-21-20(23-18-10-11-19(25)24(2)14-18)22-13-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyVNXRGPYUZBSHQB-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111978397
1-ethyl-3-(4-hydroxycyclohexyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111189463
ethyl 4-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327607
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316730
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111995518
1-ethyl-3-(2-methylcyclopropyl)-2-(naphthalen-2-ylmethyl)guanidine
CID 111961429
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 111996581
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111996580
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119155463
N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927171
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158630

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine (CID 111996031) is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccc2ccccc2c1)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine?
The InChIKey is VNXRGPYUZBSHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-21-20(23-18-10-11-19(25)24(2)14-18)22-13-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine?
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine has a molecular weight of 338.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine is sourced from PubChem (CID 111996031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).