1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine

C20H32N4O — CID 110054124

IUPAC1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CC/N=C(\NC2CCCC2)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C20H32N4O/c1-2-5-16(4-1)22-20(21-12-9-19-6-3-15-25-19)23-17-10-13-24(14-11-17)18-7-8-18/h3,6,15-18H,1-2,4-5,7-14H2,(H2,21,22,23)
InChIKeyYKQNORGZDZFOCN-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.93
Rot. Bonds6

About 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine

1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110054124) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110054124
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CC/N=C(\NC2CCCC2)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C20H32N4O/c1-2-5-16(4-1)22-20(21-12-9-19-6-3-15-25-19)23-17-10-13-24(14-11-17)18-7-8-18/h3,6,15-18H,1-2,4-5,7-14H2,(H2,21,22,23)
InChIKeyYKQNORGZDZFOCN-UHFFFAOYSA-N
XLogP2.93
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110054522
1-(1-cyclopropylpiperidin-4-yl)-3-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054127
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111356294
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
2-[2-(furan-2-yl)ethyl]-1-[4-(4-methylpiperidin-1-yl)cyclohexyl]-3-prop-2-enylguanidine
CID 136727214
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054414
2-butyl-1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110056439
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 110056458

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine (CID 110054124) is 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine is c1coc(CC/N=C(\NC2CCCC2)NC2CCN(C3CC3)CC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is YKQNORGZDZFOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-5-16(4-1)22-20(21-12-9-19-6-3-15-25-19)23-17-10-13-24(14-11-17)18-7-8-18/h3,6,15-18H,1-2,4-5,7-14H2,(H2,21,22,23).
What are the key properties of 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine?
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 344.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110054124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).