2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine

C15H28N6O — CID 137298090

IUPAC2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
SMILESC/N=C1\CCC(CC(=O)N2CCCC(CCN=C(N)N)C2)N1
InChIInChI=1S/C15H28N6O/c1-18-13-5-4-12(20-13)9-14(22)21-8-2-3-11(10-21)6-7-19-15(16)17/h11-12H,2-10H2,1H3,(H,18,20)(H4,16,17,19)
InChIKeyPLIZEIBDJHQHMI-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.06
Rot. Bonds5

About 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine

2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine (PubChem CID 137298090) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
PubChem CID137298090
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
SMILESC/N=C1\CCC(CC(=O)N2CCCC(CCN=C(N)N)C2)N1
InChIInChI=1S/C15H28N6O/c1-18-13-5-4-12(20-13)9-14(22)21-8-2-3-11(10-21)6-7-19-15(16)17/h11-12H,2-10H2,1H3,(H,18,20)(H4,16,17,19)
InChIKeyPLIZEIBDJHQHMI-UHFFFAOYSA-N
XLogP0.06
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.06
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

2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 90230592
N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide
CID 135616748
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-(5-Methyliminopyrrolidin-3-yl)-1-piperidin-1-ylethanone
CID 137298091
2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone
CID 153085489
(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
CID 166914999
2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 144593439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine?
The IUPAC name of 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine (CID 137298090) is 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine?
The canonical SMILES for 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine is C/N=C1\CCC(CC(=O)N2CCCC(CCN=C(N)N)C2)N1.
What is the InChIKey of 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine?
The InChIKey is PLIZEIBDJHQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-18-13-5-4-12(20-13)9-14(22)21-8-2-3-11(10-21)6-7-19-15(16)17/h11-12H,2-10H2,1H3,(H,18,20)(H4,16,17,19).
What are the key properties of 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine?
2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine has a molecular weight of 308.43 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(5-methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine is sourced from PubChem (CID 137298090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).