N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C19H37N5O — CID 111725749

IUPACN'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCN1CCC(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H37N5O/c1-17-4-9-22(10-5-17)8-3-7-21-19(20-2)24-11-6-18(16-24)23-12-14-25-15-13-23/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyQPDUFMXHFXYFNL-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.09
Rot. Bonds5

About N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111725749) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111725749
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC NameN'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCN1CCC(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H37N5O/c1-17-4-9-22(10-5-17)8-3-7-21-19(20-2)24-11-6-18(16-24)23-12-14-25-15-13-23/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyQPDUFMXHFXYFNL-UHFFFAOYSA-N
XLogP1.09
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111725749) is N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(\NCCCN1CCC(C)CC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is QPDUFMXHFXYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-17-4-9-22(10-5-17)8-3-7-21-19(20-2)24-11-6-18(16-24)23-12-14-25-15-13-23/h17-18H,3-16H2,1-2H3,(H,20,21).
What are the key properties of N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 351.54 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111725749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).