2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride

C13H27Cl2N3O — CID 119835586

IUPAC2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(11-12-5-3-6-14-12)15-7-4-10-16-8-1-2-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyQMIANHWMCSWWHA-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.57
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride

2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride (PubChem CID 119835586) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
PubChem CID119835586
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(11-12-5-3-6-14-12)15-7-4-10-16-8-1-2-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyQMIANHWMCSWWHA-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
CID 119902055
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119827227
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61366260
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
CID 119761927

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride (CID 119835586) is 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The InChIKey is QMIANHWMCSWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c17-13(11-12-5-3-6-14-12)15-7-4-10-16-8-1-2-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H.
What are the key properties of 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 119835586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).