3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide

C14H28N4 — CID 63170287

IUPAC3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N4/c1-2-12(10-14(15)16)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H3,15,16)
InChIKeyLPOSBMJKQKPCPZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.65
Rot. Bonds5

About 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide

3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide (PubChem CID 63170287) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
PubChem CID63170287
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N4/c1-2-12(10-14(15)16)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H3,15,16)
InChIKeyLPOSBMJKQKPCPZ-UHFFFAOYSA-N
XLogP1.65
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.65
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

3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 62974857
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)pentanoic acid
CID 63151670
3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43368010
2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
CID 63170598

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide (CID 63170287) is 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide?
The InChIKey is LPOSBMJKQKPCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-2-12(10-14(15)16)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H3,15,16).
What are the key properties of 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide?
3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide has a molecular weight of 252.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 63170287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).