N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide

C19H35N5O2 — CID 120661640

IUPACN'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCN2CCN(C(=O)C3CCCCC3)CC2)CCO1
InChIInChI=1S/C19H35N5O2/c1-16-15-24(13-14-26-16)19(20)21-7-8-22-9-11-23(12-10-22)18(25)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3,(H2,20,21)
InChIKeyMZYWQFPHYJSATO-UHFFFAOYSA-N
MW365.52 g/mol
LogP0.75
Rot. Bonds4

About N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661640) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661640
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC NameN'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCN2CCN(C(=O)C3CCCCC3)CC2)CCO1
InChIInChI=1S/C19H35N5O2/c1-16-15-24(13-14-26-16)19(20)21-7-8-22-9-11-23(12-10-22)18(25)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3,(H2,20,21)
InChIKeyMZYWQFPHYJSATO-UHFFFAOYSA-N
XLogP0.75
TPSA74.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.75
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

2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806077
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661743

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide (CID 120661640) is N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCN2CCN(C(=O)C3CCCCC3)CC2)CCO1.
What is the InChIKey of N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is MZYWQFPHYJSATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-16-15-24(13-14-26-16)19(20)21-7-8-22-9-11-23(12-10-22)18(25)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3,(H2,20,21).
What are the key properties of N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 365.52 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).