methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate

C19H28N4O4 — CID 139699368

IUPACmethyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate
SMILESCOC(=O)COC1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-26-18(24)14-27-17-4-2-15(3-5-17)21-19(25)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h6-9,15,17H,2-5,10-14H2,1H3,(H,21,25)
InChIKeyXYCMFJYDMQPXKA-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.41
Rot. Bonds5

About methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate

methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate (PubChem CID 139699368) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate
PubChem CID139699368
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Namemethyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate
SMILESCOC(=O)COC1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-26-18(24)14-27-17-4-2-15(3-5-17)21-19(25)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h6-9,15,17H,2-5,10-14H2,1H3,(H,21,25)
InChIKeyXYCMFJYDMQPXKA-UHFFFAOYSA-N
XLogP1.41
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid
CID 21462786
2-methylpropyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]acetate;dihydrochloride
CID 139699363
methyl 2-[4-[4-(piperidin-4-ylcarbamoyl)piperazin-1-yl]phenoxy]acetate;hydrochloride
CID 19602687
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
methyl 3-[methyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate
CID 21462707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate?
The IUPAC name of methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate (CID 139699368) is methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate.
What is the SMILES notation for methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate?
The canonical SMILES for methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate is COC(=O)COC1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate?
The InChIKey is XYCMFJYDMQPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-26-18(24)14-27-17-4-2-15(3-5-17)21-19(25)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h6-9,15,17H,2-5,10-14H2,1H3,(H,21,25).
What are the key properties of methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate?
methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate has a molecular weight of 376.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate is sourced from PubChem (CID 139699368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).