1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine

C24H32N6O2 — CID 111304485

IUPAC1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccn(-c2ccc(OC)cc2)n1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C24H32N6O2/c1-25-24(27-18-22(23-7-6-16-32-23)29-13-4-3-5-14-29)26-17-19-12-15-30(28-19)20-8-10-21(31-2)11-9-20/h6-12,15-16,22H,3-5,13-14,17-18H2,1-2H3,(H2,25,26,27)
InChIKeyWOUAHNCXVCTPEE-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.37
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine (PubChem CID 111304485) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
PubChem CID111304485
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccn(-c2ccc(OC)cc2)n1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C24H32N6O2/c1-25-24(27-18-22(23-7-6-16-32-23)29-13-4-3-5-14-29)26-17-19-12-15-30(28-19)20-8-10-21(31-2)11-9-20/h6-12,15-16,22H,3-5,13-14,17-18H2,1-2H3,(H2,25,26,27)
InChIKeyWOUAHNCXVCTPEE-UHFFFAOYSA-N
XLogP3.37
TPSA79.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(furan-2-ylmethyl)-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 75493916
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111006996
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969958
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111259009
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111304151
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941436
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111304922
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-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008229
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111007411
methyl 4-[[[N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine (CID 111304485) is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine is C/N=C(/NCc1ccn(-c2ccc(OC)cc2)n1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine?
The InChIKey is WOUAHNCXVCTPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-25-24(27-18-22(23-7-6-16-32-23)29-13-4-3-5-14-29)26-17-19-12-15-30(28-19)20-8-10-21(31-2)11-9-20/h6-12,15-16,22H,3-5,13-14,17-18H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine?
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine has a molecular weight of 436.56 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine is sourced from PubChem (CID 111304485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).