2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine

C9H19N5O — CID 20641631

IUPAC2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
SMILESCNC1CCN(C(=O)CN=C(N)N)CC1
InChIInChI=1S/C9H19N5O/c1-12-7-2-4-14(5-3-7)8(15)6-13-9(10)11/h7,12H,2-6H2,1H3,(H4,10,11,13)
InChIKeyDDXCKCUURUWFDL-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.53
Rot. Bonds3

About 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine

2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine (PubChem CID 20641631) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine.

Molecular Properties

Compound Name2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
PubChem CID20641631
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
SMILESCNC1CCN(C(=O)CN=C(N)N)CC1
InChIInChI=1S/C9H19N5O/c1-12-7-2-4-14(5-3-7)8(15)6-13-9(10)11/h7,12H,2-6H2,1H3,(H4,10,11,13)
InChIKeyDDXCKCUURUWFDL-UHFFFAOYSA-N
XLogP-1.53
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
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

4-(methylamino)piperidine-1-carboxamide
CID 43754889
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
ethyl 4-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329836
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine?
The IUPAC name of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine (CID 20641631) is 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine.
What is the SMILES notation for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine?
The canonical SMILES for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine is CNC1CCN(C(=O)CN=C(N)N)CC1.
What is the InChIKey of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine?
The InChIKey is DDXCKCUURUWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-12-7-2-4-14(5-3-7)8(15)6-13-9(10)11/h7,12H,2-6H2,1H3,(H4,10,11,13).
What are the key properties of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine?
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine has a molecular weight of 213.28 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine is sourced from PubChem (CID 20641631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).