4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide

C14H25IN4O — CID 119162701

IUPAC4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(C)CC1)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C14H24N4O.HI/c1-14(5-6-14)10-16-13(15-2)17-7-8-18(11-3-4-11)12(19)9-17;/h11H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyIIPUCJOFHNOQKN-UHFFFAOYSA-N
MW392.29 g/mol
LogP1.29
Rot. Bonds3

About 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide

4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 119162701) has the molecular formula C14H25IN4O and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
PubChem CID119162701
Molecular FormulaC14H25IN4O
Molecular Weight392.29 g/mol
Exact Mass392.11
IUPAC Name4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(C)CC1)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C14H24N4O.HI/c1-14(5-6-14)10-16-13(15-2)17-7-8-18(11-3-4-11)12(19)9-17;/h11H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyIIPUCJOFHNOQKN-UHFFFAOYSA-N
XLogP1.29
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119156483
4-cyclopropyl-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119155428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119152887
4-cyclopropyl-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119152916
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
4-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119162770
4-cyclopropyl-N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119157230
4-cyclopropyl-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119152873
4-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119156477
4-cyclopropyl-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119160848
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 119162701) is 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(C)CC1)N1CCN(C2CC2)C(=O)C1.I.
What is the InChIKey of 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
The InChIKey is IIPUCJOFHNOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.HI/c1-14(5-6-14)10-16-13(15-2)17-7-8-18(11-3-4-11)12(19)9-17;/h11H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide?
4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 392.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119162701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).