2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine

C19H29N5O — CID 111811838

IUPAC2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H29N5O/c1-15-5-7-17(8-6-15)22-19(20)21-9-10-23-11-13-24(14-12-23)18(25)16-3-2-4-16/h5-8,16H,2-4,9-14H2,1H3,(H3,20,21,22)
InChIKeyZYQQGBZAMFLGPN-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.67
Rot. Bonds5

About 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine (PubChem CID 111811838) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
PubChem CID111811838
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H29N5O/c1-15-5-7-17(8-6-15)22-19(20)21-9-10-23-11-13-24(14-12-23)18(25)16-3-2-4-16/h5-8,16H,2-4,9-14H2,1H3,(H3,20,21,22)
InChIKeyZYQQGBZAMFLGPN-UHFFFAOYSA-N
XLogP1.67
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.67
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

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
1-(4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111060169
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111567241
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 111811842
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
1-(4-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061935
2-[2-(azepan-1-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111056993
tert-butyl 4-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]piperazine-1-carboxylate
CID 111070918

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine (CID 111811838) is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CCN2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine?
The InChIKey is ZYQQGBZAMFLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-5-7-17(8-6-15)22-19(20)21-9-10-23-11-13-24(14-12-23)18(25)16-3-2-4-16/h5-8,16H,2-4,9-14H2,1H3,(H3,20,21,22).
What are the key properties of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine?
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine has a molecular weight of 343.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111811838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).