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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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).