1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C20H32N6O — CID 111304913

IUPAC1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)Cn1cccn1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H32N6O/c1-17(16-26-12-7-9-24-26)14-22-20(21-2)23-15-18(19-8-6-13-27-19)25-10-4-3-5-11-25/h6-9,12-13,17-18H,3-5,10-11,14-16H2,1-2H3,(H2,21,22,23)
InChIKeyULUBDTQUYIWSON-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.50
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111304913) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111304913
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)Cn1cccn1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H32N6O/c1-17(16-26-12-7-9-24-26)14-22-20(21-2)23-15-18(19-8-6-13-27-19)25-10-4-3-5-11-25/h6-9,12-13,17-18H,3-5,10-11,14-16H2,1-2H3,(H2,21,22,23)
InChIKeyULUBDTQUYIWSON-UHFFFAOYSA-N
XLogP2.50
TPSA70.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111008812
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001946
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969958
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001979
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111705033
1-(2-ethylsulfonylethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111303767
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111303983
1-[2-[ethyl(propan-2-yl)amino]ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111303733
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941436
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111304913) is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is C/N=C(\NCC(C)Cn1cccn1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is ULUBDTQUYIWSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-17(16-26-12-7-9-24-26)14-22-20(21-2)23-15-18(19-8-6-13-27-19)25-10-4-3-5-11-25/h6-9,12-13,17-18H,3-5,10-11,14-16H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 372.52 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111304913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).