1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine

C24H36N6O2 — CID 110052376

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESc1coc(CCN/C(=N/CC2CCN(c3ccncc3)CC2)NCCN2CCOCC2)c1
InChIInChI=1S/C24H36N6O2/c1-2-23(32-17-1)5-10-26-24(27-11-14-29-15-18-31-19-16-29)28-20-21-6-12-30(13-7-21)22-3-8-25-9-4-22/h1-4,8-9,17,21H,5-7,10-16,18-20H2,(H2,26,27,28)
InChIKeyPLAKKADLRNVJPN-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.00
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine

1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine (PubChem CID 110052376) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
PubChem CID110052376
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESc1coc(CCN/C(=N/CC2CCN(c3ccncc3)CC2)NCCN2CCOCC2)c1
InChIInChI=1S/C24H36N6O2/c1-2-23(32-17-1)5-10-26-24(27-11-14-29-15-18-31-19-16-29)28-20-21-6-12-30(13-7-21)22-3-8-25-9-4-22/h1-4,8-9,17,21H,5-7,10-16,18-20H2,(H2,26,27,28)
InChIKeyPLAKKADLRNVJPN-UHFFFAOYSA-N
XLogP2.00
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.00
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-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110052742
1-[2-(furan-2-yl)ethyl]-3-prop-2-enyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110050606
1-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110051318
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187993
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111188204
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine
CID 110058914
2-[(4-bromophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111753600
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110036143
2-(3-cyclohexyloxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777431
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111777239
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine (CID 110052376) is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine is c1coc(CCN/C(=N/CC2CCN(c3ccncc3)CC2)NCCN2CCOCC2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine?
The InChIKey is PLAKKADLRNVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-2-23(32-17-1)5-10-26-24(27-11-14-29-15-18-31-19-16-29)28-20-21-6-12-30(13-7-21)22-3-8-25-9-4-22/h1-4,8-9,17,21H,5-7,10-16,18-20H2,(H2,26,27,28).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine?
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine has a molecular weight of 440.59 g/mol, XLogP of 2.00, 9 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)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 110052376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).