1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine

C22H34N4O3 — CID 110059938

IUPAC1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
SMILESO=C(C1CCCC1)N1CCC(N/C(=N/CC2CCCO2)NCCc2ccco2)C1
InChIInChI=1S/C22H34N4O3/c27-21(17-5-1-2-6-17)26-12-10-18(16-26)25-22(24-15-20-8-4-14-29-20)23-11-9-19-7-3-13-28-19/h3,7,13,17-18,20H,1-2,4-6,8-12,14-16H2,(H2,23,24,25)
InChIKeyHDVGVHYDWAZGAH-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.33
Rot. Bonds7

About 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine

1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 110059938) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
PubChem CID110059938
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
SMILESO=C(C1CCCC1)N1CCC(N/C(=N/CC2CCCO2)NCCc2ccco2)C1
InChIInChI=1S/C22H34N4O3/c27-21(17-5-1-2-6-17)26-12-10-18(16-26)25-22(24-15-20-8-4-14-29-20)23-11-9-19-7-3-13-28-19/h3,7,13,17-18,20H,1-2,4-6,8-12,14-16H2,(H2,23,24,25)
InChIKeyHDVGVHYDWAZGAH-UHFFFAOYSA-N
XLogP2.33
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-2-(oxolan-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111651696
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110059736
1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-2-(oxolan-2-ylmethyl)guanidine
CID 110060288
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110060323
2-[4-[[N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 110054689
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 110053534
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylpiperidin-4-yl)guanidine
CID 110058790
1-(1-butylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110055269
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-[2-(oxan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 110051036
tert-butyl N-[1-[N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 110055412
N-[2-[[N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111651711

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine (CID 110059938) is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine is O=C(C1CCCC1)N1CCC(N/C(=N/CC2CCCO2)NCCc2ccco2)C1.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is HDVGVHYDWAZGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c27-21(17-5-1-2-6-17)26-12-10-18(16-26)25-22(24-15-20-8-4-14-29-20)23-11-9-19-7-3-13-28-19/h3,7,13,17-18,20H,1-2,4-6,8-12,14-16H2,(H2,23,24,25).
What are the key properties of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine?
1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 402.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 110059938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).