4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide

C21H37N5O2 — CID 119156483

IUPAC4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
SMILESC/N=C(\NCC1(N2CCC(OC)CC2)CCCC1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C21H37N5O2/c1-22-20(24-13-14-26(17-5-6-17)19(27)15-24)23-16-21(9-3-4-10-21)25-11-7-18(28-2)8-12-25/h17-18H,3-16H2,1-2H3,(H,22,23)
InChIKeyAPAABVLGTOXOHQ-UHFFFAOYSA-N
MW391.56 g/mol
LogP1.29
Rot. Bonds5

About 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide

4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 119156483) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID119156483
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
SMILESC/N=C(\NCC1(N2CCC(OC)CC2)CCCC1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C21H37N5O2/c1-22-20(24-13-14-26(17-5-6-17)19(27)15-24)23-16-21(9-3-4-10-21)25-11-7-18(28-2)8-12-25/h17-18H,3-16H2,1-2H3,(H,22,23)
InChIKeyAPAABVLGTOXOHQ-UHFFFAOYSA-N
XLogP1.29
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119162701
(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119882208
4-cyclopropyl-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119152916
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119152887
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'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119155428
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119157230
4-acetyl-N'-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119160236
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide (CID 119156483) is 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide is C/N=C(\NCC1(N2CCC(OC)CC2)CCCC1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is APAABVLGTOXOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-22-20(24-13-14-26(17-5-6-17)19(27)15-24)23-16-21(9-3-4-10-21)25-11-7-18(28-2)8-12-25/h17-18H,3-16H2,1-2H3,(H,22,23).
What are the key properties of 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide?
4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 391.56 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 119156483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).