(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C16H18ClN5O2 — CID 119854137

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H18ClN5O2/c1-24-14-9-13(18)12(17)8-11(14)16(23)22-6-4-21(5-7-22)15-10-19-2-3-20-15/h2-3,8-10H,4-7,18H2,1H3
InChIKeyAKZBMXHUCYPYAH-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.68
Rot. Bonds3

About (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 119854137) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID119854137
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H18ClN5O2/c1-24-14-9-13(18)12(17)8-11(14)16(23)22-6-4-21(5-7-22)15-10-19-2-3-20-15/h2-3,8-10H,4-7,18H2,1H3
InChIKeyAKZBMXHUCYPYAH-UHFFFAOYSA-N
XLogP1.68
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 119879800
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(3-bromo-4-hydroxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145986
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835219
(3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022240
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
(4-amino-5-chloro-2-methoxyphenyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119891715

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 119854137) is (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AKZBMXHUCYPYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-24-14-9-13(18)12(17)8-11(14)16(23)22-6-4-21(5-7-22)15-10-19-2-3-20-15/h2-3,8-10H,4-7,18H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119854137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).