2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

C14H26N4O — CID 111054677

IUPAC2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CC1CCC1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H26N4O/c15-14(17-11-12-5-4-6-12)16-8-7-13(19)18-9-2-1-3-10-18/h12H,1-11H2,(H3,15,16,17)
InChIKeyCCEGIUGDFORDKO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.09
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111054677) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
PubChem CID111054677
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CC1CCC1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H26N4O/c15-14(17-11-12-5-4-6-12)16-8-7-13(19)18-9-2-1-3-10-18/h12H,1-11H2,(H3,15,16,17)
InChIKeyCCEGIUGDFORDKO-UHFFFAOYSA-N
XLogP1.09
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119118044
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (CID 111054677) is 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is N/C(=N\CC1CCC1)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is CCEGIUGDFORDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-14(17-11-12-5-4-6-12)16-8-7-13(19)18-9-2-1-3-10-18/h12H,1-11H2,(H3,15,16,17).
What are the key properties of 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 266.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111054677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).