1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine

C18H32N4O — CID 119146241

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
SMILESC/N=C(/NC1CCN(C(C)=O)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C18H32N4O/c1-13(23)22-10-8-15(9-11-22)20-18(19-2)21-17-12-16(17)14-6-4-3-5-7-14/h14-17H,3-12H2,1-2H3,(H2,19,20,21)
InChIKeyVOYHSLQYYSEBTA-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.13
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine

1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine (PubChem CID 119146241) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
PubChem CID119146241
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
SMILESC/N=C(/NC1CCN(C(C)=O)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C18H32N4O/c1-13(23)22-10-8-15(9-11-22)20-18(19-2)21-17-12-16(17)14-6-4-3-5-7-14/h14-17H,3-12H2,1-2H3,(H2,19,20,21)
InChIKeyVOYHSLQYYSEBTA-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.13
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

1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
CID 119161927
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161997
1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111774940
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-(1-acetylpiperidin-4-yl)-3-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylguanidine;hydroiodide
CID 119145817
1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111770529
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
N-(2-cyclohexylcyclopropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 71929793
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
CID 111770684

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine (CID 119146241) is 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine is C/N=C(/NC1CCN(C(C)=O)CC1)NC1CC1C1CCCCC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine?
The InChIKey is VOYHSLQYYSEBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-13(23)22-10-8-15(9-11-22)20-18(19-2)21-17-12-16(17)14-6-4-3-5-7-14/h14-17H,3-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine?
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine has a molecular weight of 320.48 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine is sourced from PubChem (CID 119146241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).