N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C12H22Cl2N4O — CID 119827227

IUPACN-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O.2ClH/c17-12(9-11-3-1-4-14-11)15-5-2-7-16-8-6-13-10-16;;/h6,8,10-11,14H,1-5,7,9H2,(H,15,17);2*1H
InChIKeyANYQAKVNJHTQJO-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.38
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119827227) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119827227
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O.2ClH/c17-12(9-11-3-1-4-14-11)15-5-2-7-16-8-6-13-10-16;;/h6,8,10-11,14H,1-5,7,9H2,(H,15,17);2*1H
InChIKeyANYQAKVNJHTQJO-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-piperidin-2-ylpropanamide
CID 62210335
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-imidazol-1-ylbutyl)acetamide
CID 80518226
N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 61372754
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
CID 119902055
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119827227) is N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is ANYQAKVNJHTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c17-12(9-11-3-1-4-14-11)15-5-2-7-16-8-6-13-10-16;;/h6,8,10-11,14H,1-5,7,9H2,(H,15,17);2*1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119827227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).