2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride

C16H26Cl2N4O2 — CID 154851772

IUPAC2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2.2ClH/c17-16(18)19-9-5-4-8-15(21)20-10-11-22-14(12-20)13-6-2-1-3-7-13;;/h1-3,6-7,14H,4-5,8-12H2,(H4,17,18,19);2*1H
InChIKeyPPCVFMJQKXOTJJ-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.87
Rot. Bonds6

About 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride

2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride (PubChem CID 154851772) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride
PubChem CID154851772
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2.2ClH/c17-16(18)19-9-5-4-8-15(21)20-10-11-22-14(12-20)13-6-2-1-3-7-13;;/h1-3,6-7,14H,4-5,8-12H2,(H4,17,18,19);2*1H
InChIKeyPPCVFMJQKXOTJJ-UHFFFAOYSA-N
XLogP1.87
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride?
The IUPAC name of 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride (CID 154851772) is 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCCCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride?
The InChIKey is PPCVFMJQKXOTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c17-16(18)19-9-5-4-8-15(21)20-10-11-22-14(12-20)13-6-2-1-3-7-13;;/h1-3,6-7,14H,4-5,8-12H2,(H4,17,18,19);2*1H.
What are the key properties of 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride?
2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride is sourced from PubChem (CID 154851772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).