1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine

C18H35N5O2 — CID 111806038

IUPAC1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\N)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H35N5O2/c1-2-25-15-5-8-20-18(19)21-9-10-22-11-13-23(14-12-22)17(24)16-6-3-4-7-16/h16H,2-15H2,1H3,(H3,19,20,21)
InChIKeyVXKHGRVTZVISAG-UHFFFAOYSA-N
MW353.51 g/mol
LogP0.65
Rot. Bonds9

About 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine

1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine (PubChem CID 111806038) has the molecular formula C18H35N5O2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine
PubChem CID111806038
Molecular FormulaC18H35N5O2
Molecular Weight353.51 g/mol
Exact Mass353.28
IUPAC Name1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\N)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H35N5O2/c1-2-25-15-5-8-20-18(19)21-9-10-22-11-13-23(14-12-22)17(24)16-6-3-4-7-16/h16H,2-15H2,1H3,(H3,19,20,21)
InChIKeyVXKHGRVTZVISAG-UHFFFAOYSA-N
XLogP0.65
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-2-hexylguanidine
CID 111567285
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111839786
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(4-ethoxybutyl)-3-ethylguanidine
CID 111943963
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111055502
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
CID 111811838

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine (CID 111806038) is 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\N)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine?
The InChIKey is VXKHGRVTZVISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O2/c1-2-25-15-5-8-20-18(19)21-9-10-22-11-13-23(14-12-22)17(24)16-6-3-4-7-16/h16H,2-15H2,1H3,(H3,19,20,21).
What are the key properties of 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine?
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine has a molecular weight of 353.51 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 111806038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).