N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide

C18H27BrN4O2 — CID 19599231

IUPACN'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.N/C(=N\c1ccc(CCC(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C18H26N4O2.BrH/c19-18(22-9-1-2-10-22)20-16-6-3-15(4-7-16)5-8-17(23)21-11-13-24-14-12-21;/h3-4,6-7H,1-2,5,8-14H2,(H2,19,20);1H
InChIKeyGBOMAYIOCRQJEM-UHFFFAOYSA-N
MW411.34 g/mol
LogP2.10
Rot. Bonds4

About N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide

N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide (PubChem CID 19599231) has the molecular formula C18H27BrN4O2 and a molecular weight of 411.34 g/mol. Its IUPAC name is N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound NameN'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide
PubChem CID19599231
Molecular FormulaC18H27BrN4O2
Molecular Weight411.34 g/mol
Exact Mass410.13
IUPAC NameN'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.N/C(=N\c1ccc(CCC(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C18H26N4O2.BrH/c19-18(22-9-1-2-10-22)20-16-6-3-15(4-7-16)5-8-17(23)21-11-13-24-14-12-21;/h3-4,6-7H,1-2,5,8-14H2,(H2,19,20);1H
InChIKeyGBOMAYIOCRQJEM-UHFFFAOYSA-N
XLogP2.10
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
[4-[3-(2-morpholin-4-yl-2-oxoethoxy)-3-oxopropyl]phenyl] 4-(diaminomethylideneamino)benzoate
CID 10602745
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
2-N'-[4-(3-oxo-3-piperidin-1-ylpropyl)phenyl]pyrrolidine-1,2-dicarboximidamide
CID 140673420
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one
CID 155529982

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide?
The IUPAC name of N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide (CID 19599231) is N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide?
The canonical SMILES for N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide is Br.N/C(=N\c1ccc(CCC(=O)N2CCOCC2)cc1)N1CCCC1.
What is the InChIKey of N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide?
The InChIKey is GBOMAYIOCRQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.BrH/c19-18(22-9-1-2-10-22)20-16-6-3-15(4-7-16)5-8-17(23)21-11-13-24-14-12-21;/h3-4,6-7H,1-2,5,8-14H2,(H2,19,20);1H.
What are the key properties of N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide?
N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide has a molecular weight of 411.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]pyrrolidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 19599231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).